============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 12 0.840 76.527 -21.534 98.596 -99.200 -91.000 TYR 22 0.840 81.202 -18.382 109.690 -99.200 -91.000 HIS 24 0.900 77.423 -15.208 106.101 -99.200 -91.000 TRP 40 1.040 71.249 -18.116 111.307 -99.200 -91.000 TRP6 40 1.020 70.250 -17.974 109.167 -99.200 -91.000 HIS 51 0.900 62.950 -10.644 117.543 -99.200 -91.000 TYR 54 0.840 70.166 3.095 113.711 -99.200 -91.000 TYR 67 0.840 66.200 -21.375 113.058 -99.200 -91.000 TYR 77 0.840 79.243 -1.563 110.867 -99.200 -91.000 TRP 88 1.040 60.554 11.248 103.697 -99.200 -91.000 TRP6 88 1.020 58.632 10.523 104.822 -99.200 -91.000 TYR 100 0.840 74.503 -25.789 96.294 -99.200 -91.000 TRP 109 1.040 58.643 -7.225 107.820 -99.200 -91.000 TRP6 109 1.020 58.249 -6.207 105.745 -99.200 -91.000 PHE 111 1.000 60.014 -0.434 110.019 -99.200 -91.000 HIS 121 0.900 54.671 15.103 125.920 -99.200 -91.000 HIS 127 0.900 53.543 -2.126 114.883 -99.200 -91.000 PHE 128 1.000 55.527 -2.774 108.125 -99.200 -91.000 PHE 130 1.000 52.239 -6.588 106.462 -99.200 -91.000 PHE 133 1.000 53.214 -11.671 105.104 -99.200 -91.000 PHE 175 1.000 53.546 -0.643 105.367 -99.200 -91.000 TYR 176 0.840 51.194 1.358 98.167 -99.200 -91.000 HIS 180 0.900 60.721 12.046 107.898 -99.200 -91.000 TRP 182 1.040 68.181 10.027 107.621 -99.200 -91.000 TRP6 182 1.020 68.539 12.322 107.062 -99.200 -91.000 PHE 191 1.000 66.045 0.739 111.557 -99.200 -91.000 PHE 195 1.000 63.176 -11.552 108.600 -99.200 -91.000 PHE 197 1.000 64.294 -17.151 109.507 -99.200 -91.000 HIS 205 0.900 75.135 -24.687 102.637 -99.200 -91.000 PHE 212 1.000 64.147 -4.379 107.937 -99.200 -91.000 PHE 213 1.000 64.711 -4.319 100.662 -99.200 -91.000 PHE 233 1.000 73.785 -4.581 98.606 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2d7fL1 ALA 1 HA 0.01 -0.10 0.15 -0.75 4.34 3.65 2d7fL1 ALA 1 HB3 0.03 -0.01 0.05 -0.04 1.41 1.44 2d7fL1 ASP 2 H -0.01 0.05 0.07 -0.55 8.40 7.96 2d7fL1 ASP 2 HA 0.01 0.02 0.54 -0.75 4.63 4.43 2d7fL1 ASP 2 HB2 -0.08 0.07 0.01 -0.04 2.71 2.67 2d7fL1 ASP 2 HB3 -0.04 0.02 0.02 -0.04 2.70 2.66 2d7fL1 THR 3 H 0.03 0.00 0.24 -0.55 8.28 8.00 2d7fL1 THR 3 HA 0.08 0.16 0.77 -0.75 4.39 4.65 2d7fL1 THR 3 HB 0.07 -0.17 0.22 -0.04 4.32 4.39 2d7fL1 THR 3 HG23 0.10 0.05 -0.07 -0.04 1.22 1.26 2d7fL1 ILE 4 H 0.11 0.20 0.08 -0.55 8.25 8.09 2d7fL1 ILE 4 HA 0.02 0.36 1.07 -0.75 4.18 4.87 2d7fL1 ILE 4 HB -0.21 -0.10 -0.10 -0.04 1.89 1.45 2d7fL1 ILE 4 HG12 -0.17 -0.16 -0.59 -0.04 1.49 0.53 2d7fL1 ILE 4 HG13 -0.65 0.31 -0.13 -0.04 1.21 0.70 2d7fL1 ILE 4 HG23 -0.35 -0.01 -0.34 -0.04 0.93 0.19 2d7fL1 ILE 4 HD13 -0.23 0.02 -0.14 -0.04 0.88 0.49 2d7fL1 VAL 5 H 0.06 0.69 0.34 -0.55 8.24 8.79 2d7fL1 VAL 5 HA 0.14 0.27 0.83 -0.75 4.13 4.61 2d7fL1 VAL 5 HB 0.07 -0.02 0.13 -0.04 2.12 2.27 2d7fL1 VAL 5 HG13 0.15 -0.01 -0.11 -0.04 0.97 0.96 2d7fL1 VAL 5 HG23 0.10 -0.02 -0.11 -0.04 0.95 0.88 2d7fL1 ALA 6 H 0.15 0.71 0.33 -0.55 8.40 9.05 2d7fL1 ALA 6 HA 0.12 0.26 0.93 -0.75 4.34 4.89 2d7fL1 ALA 6 HB3 0.10 -0.01 -0.17 -0.04 1.41 1.29 2d7fL1 VAL 7 H 0.24 0.63 0.33 -0.55 8.24 8.89 2d7fL1 VAL 7 HA 0.13 0.37 1.06 -0.75 4.13 4.94 2d7fL1 VAL 7 HB 0.29 -0.09 0.19 -0.04 2.12 2.46 2d7fL1 VAL 7 HG13 0.06 0.00 -0.14 -0.04 0.97 0.85 2d7fL1 VAL 7 HG23 0.25 -0.00 -0.13 -0.04 0.95 1.03 2d7fL1 GLU 8 H 0.07 0.54 0.21 -0.55 8.60 8.87 2d7fL1 GLU 8 HA 0.02 0.20 1.07 -0.75 4.29 4.82 2d7fL1 GLU 8 HB2 0.03 0.03 -0.22 -0.04 2.09 1.90 2d7fL1 GLU 8 HB3 0.07 0.02 -0.13 -0.04 1.99 1.91 2d7fL1 GLU 8 HG2 0.09 0.04 -0.05 -0.04 2.34 2.38 2d7fL1 GLU 8 HG3 0.06 -0.18 0.08 -0.04 2.34 2.26 2d7fL1 LEU 9 H -0.09 0.92 0.40 -0.55 8.37 9.05 2d7fL1 LEU 9 HA -0.53 0.11 0.81 -0.75 4.35 3.98 2d7fL1 LEU 9 HB2 -0.26 0.07 0.31 -0.04 1.64 1.71 2d7fL1 LEU 9 HB3 -0.65 -0.05 0.05 -0.04 1.64 0.96 2d7fL1 LEU 9 HG -1.27 -0.00 -0.06 -0.04 1.64 0.28 2d7fL1 LEU 9 HD13 -0.28 0.04 -0.30 -0.04 0.93 0.35 2d7fL1 LEU 9 HD23 -0.83 -0.01 -0.10 -0.04 0.89 -0.09 2d7fL1 ASP 10 H -0.03 0.82 0.16 -0.55 8.40 8.80 2d7fL1 ASP 10 HA 0.07 0.14 0.78 -0.75 4.63 4.86 2d7fL1 ASP 10 HB2 -0.05 -0.06 -0.12 -0.04 2.71 2.43 2d7fL1 ASP 10 HB3 -0.73 0.06 0.13 -0.04 2.70 2.12 2d7fL1 THR 11 H 0.18 0.41 0.09 -0.55 8.28 8.41 2d7fL1 THR 11 HA 0.13 0.14 0.71 -0.75 4.39 4.62 2d7fL1 THR 11 HB 0.05 0.03 -0.13 -0.04 4.32 4.23 2d7fL1 THR 11 HG23 0.18 0.01 -0.21 -0.04 1.22 1.16 2d7fL1 TYR 12 H 0.19 0.23 -0.18 -0.55 8.29 7.97 2d7fL1 TYR 12 HA 0.09 0.33 0.95 -0.75 4.56 5.18 2d7fL1 TYR 12 HB2 0.07 0.05 -0.10 -0.04 3.06 3.04 2d7fL1 TYR 12 HB3 0.04 -0.11 0.03 -0.04 2.98 2.90 2d7fL1 TYR 12 HD2 -0.10 0.09 -0.26 -0.04 7.15 6.83 2d7fL1 TYR 12 HE2 -0.48 -0.04 -0.11 -0.04 6.85 6.18 2d7fL1 PRO 13 HA 0.02 0.17 0.52 -0.51 4.44 4.64 2d7fL1 PRO 13 HB2 -0.22 -0.07 0.01 -0.04 2.28 1.96 2d7fL1 PRO 13 HB3 -0.12 0.13 0.07 -0.04 2.02 2.06 2d7fL1 PRO 13 HG2 -0.49 -0.02 0.04 -0.04 2.03 1.52 2d7fL1 PRO 13 HG3 -0.22 0.05 -0.13 -0.04 2.03 1.69 2d7fL1 PRO 13 HD2 -1.48 0.04 0.11 -0.04 3.68 2.31 2d7fL1 PRO 13 HD3 -0.31 0.25 0.06 -0.04 3.65 3.61 2d7fL1 ASN 14 H 0.06 0.33 0.11 -0.55 8.53 8.49 2d7fL1 ASN 14 HA 0.06 0.13 0.85 -0.75 4.76 5.04 2d7fL1 ASN 14 HB2 0.07 0.05 0.21 -0.04 2.88 3.18 2d7fL1 ASN 14 HB3 0.08 -0.06 0.08 -0.04 2.79 2.84 2d7fL1 ASN 14 HD21 0.21 -0.08 -0.07 -0.04 7.03 7.05 2d7fL1 ASN 14 HD22 0.20 -0.01 -0.02 -0.04 7.74 7.88 2d7fL1 THR 15 H -0.06 0.28 -0.13 -0.55 8.28 7.83 2d7fL1 THR 15 HA -0.08 0.32 0.29 -0.75 4.39 4.17 2d7fL1 THR 15 HB -0.07 0.03 -0.01 -0.04 4.32 4.23 2d7fL1 THR 15 HG23 -0.13 0.08 -0.18 -0.04 1.22 0.95 2d7fL1 ASP 16 H -0.01 0.04 -0.22 -0.55 8.40 7.66 2d7fL1 ASP 16 HA -0.01 0.09 0.47 -0.75 4.63 4.43 2d7fL1 ASP 16 HB2 0.02 -0.09 0.01 -0.04 2.71 2.61 2d7fL1 ASP 16 HB3 0.01 0.06 -0.18 -0.04 2.70 2.55 2d7fL1 ILE 17 H -0.01 0.30 -0.43 -0.55 8.25 7.55 2d7fL1 ILE 17 HA -0.03 0.22 0.74 -0.75 4.18 4.36 2d7fL1 ILE 17 HB -0.03 0.07 0.17 -0.04 1.89 2.07 2d7fL1 ILE 17 HG12 0.02 -0.13 -0.00 -0.04 1.49 1.34 2d7fL1 ILE 17 HG13 0.00 0.08 -0.03 -0.04 1.21 1.22 2d7fL1 ILE 17 HG23 -0.00 -0.04 -0.20 -0.04 0.93 0.65 2d7fL1 ILE 17 HD13 0.02 -0.01 -0.05 -0.04 0.88 0.80 2d7fL1 GLY 18 H -0.05 0.33 -0.24 -0.55 8.43 7.93 2d7fL1 GLY 18 HA2 -0.07 0.03 0.22 -0.51 4.01 3.69 2d7fL1 GLY 18 HA3 -0.06 0.11 0.21 -0.51 4.01 3.75 2d7fL1 ASP 19 H -0.06 0.14 -0.41 -0.55 8.40 7.52 2d7fL1 ASP 19 HA -0.21 0.08 0.46 -0.75 4.63 4.20 2d7fL1 ASP 19 HB2 -0.05 -0.13 -0.54 -0.04 2.71 1.94 2d7fL1 ASP 19 HB3 -0.10 0.27 -0.19 -0.04 2.70 2.63 2d7fL1 PRO 20 HA -0.36 0.06 0.49 -0.51 4.44 4.12 2d7fL1 PRO 20 HB2 -1.28 -0.01 -0.05 -0.04 2.28 0.90 2d7fL1 PRO 20 HB3 -0.33 0.05 0.04 -0.04 2.02 1.74 2d7fL1 PRO 20 HG2 -0.87 0.12 -0.10 -0.04 2.03 1.14 2d7fL1 PRO 20 HG3 -0.36 -0.01 -0.06 -0.04 2.03 1.56 2d7fL1 PRO 20 HD2 -1.23 0.05 0.17 -0.04 3.68 2.63 2d7fL1 PRO 20 HD3 -0.43 0.20 0.15 -0.04 3.65 3.52 2d7fL1 ASN 21 H -0.45 0.12 0.01 -0.55 8.53 7.66 2d7fL1 ASN 21 HA -0.22 0.11 0.50 -0.75 4.76 4.40 2d7fL1 ASN 21 HB2 -0.14 0.01 0.06 -0.04 2.88 2.76 2d7fL1 ASN 21 HB3 -0.09 -0.01 0.19 -0.04 2.79 2.84 2d7fL1 ASN 21 HD21 -0.05 -0.02 0.02 -0.04 7.03 6.94 2d7fL1 ASN 21 HD22 -0.03 -0.01 0.07 -0.04 7.74 7.73 2d7fL1 TYR 22 H -0.23 0.74 -0.24 -0.55 8.29 8.01 2d7fL1 TYR 22 HA 0.02 0.04 0.29 -0.75 4.56 4.16 2d7fL1 TYR 22 HB2 0.07 0.09 0.08 -0.04 3.06 3.26 2d7fL1 TYR 22 HB3 0.03 0.07 0.20 -0.04 2.98 3.24 2d7fL1 TYR 22 HD2 0.11 0.28 -0.34 -0.04 7.15 7.15 2d7fL1 TYR 22 HE2 0.04 -0.00 -0.19 -0.04 6.85 6.65 2d7fL1 PRO 23 HA 0.18 0.22 0.55 -0.51 4.44 4.89 2d7fL1 PRO 23 HB2 -0.08 0.29 0.21 -0.04 2.28 2.66 2d7fL1 PRO 23 HB3 -0.07 -0.00 0.18 -0.04 2.02 2.09 2d7fL1 PRO 23 HG2 -0.11 -0.03 0.17 -0.04 2.03 2.03 2d7fL1 PRO 23 HG3 0.08 0.19 0.11 -0.04 2.03 2.37 2d7fL1 PRO 23 HD2 0.13 0.06 0.22 -0.04 3.68 4.05 2d7fL1 PRO 23 HD3 0.17 0.08 0.16 -0.04 3.65 4.02 2d7fL1 HIS 24 H -0.01 0.66 0.34 -0.55 8.41 8.85 2d7fL1 HIS 24 HA 0.43 0.02 0.71 -0.75 4.63 5.04 2d7fL1 HIS 24 HB2 0.24 0.05 0.07 -0.04 3.26 3.58 2d7fL1 HIS 24 HB3 0.45 -0.02 -0.23 -0.04 3.20 3.35 2d7fL1 HIS 24 HD2 0.08 -0.01 -0.27 -0.04 6.97 6.73 2d7fL1 HIS 24 HE1 0.00 -0.06 -0.07 -0.04 7.75 7.58 2d7fL1 ILE 25 H 0.24 0.40 0.18 -0.55 8.25 8.53 2d7fL1 ILE 25 HA -0.12 0.29 0.86 -0.75 4.18 4.45 2d7fL1 ILE 25 HB 0.03 -0.06 -0.12 -0.04 1.89 1.69 2d7fL1 ILE 25 HG12 0.02 0.04 -0.16 -0.04 1.49 1.35 2d7fL1 ILE 25 HG13 -0.16 0.02 -0.22 -0.04 1.21 0.81 2d7fL1 ILE 25 HG23 -0.15 -0.00 -0.11 -0.04 0.93 0.62 2d7fL1 ILE 25 HD13 -0.96 -0.00 -0.13 -0.04 0.88 -0.26 2d7fL1 GLY 26 H 0.04 0.54 0.32 -0.55 8.43 8.78 2d7fL1 GLY 26 HA2 0.10 0.32 0.91 -0.51 4.01 4.83 2d7fL1 GLY 26 HA3 0.13 0.02 0.35 -0.51 4.01 3.99 2d7fL1 ILE 27 H 0.02 0.50 0.24 -0.55 8.25 8.46 2d7fL1 ILE 27 HA 0.10 0.30 1.00 -0.75 4.18 4.82 2d7fL1 ILE 27 HB 0.03 -0.03 0.10 -0.04 1.89 1.94 2d7fL1 ILE 27 HG12 0.16 0.01 -0.12 -0.04 1.49 1.50 2d7fL1 ILE 27 HG13 0.10 -0.05 -0.42 -0.04 1.21 0.80 2d7fL1 ILE 27 HG23 0.16 -0.01 -0.16 -0.04 0.93 0.89 2d7fL1 ILE 27 HD13 0.16 0.03 -0.32 -0.04 0.88 0.71 2d7fL1 ASP 28 H 0.11 0.88 0.26 -0.55 8.40 9.10 2d7fL1 ASP 28 HA 0.02 0.15 0.72 -0.75 4.63 4.76 2d7fL1 ASP 28 HB2 0.20 -0.10 0.05 -0.04 2.71 2.81 2d7fL1 ASP 28 HB3 0.26 0.12 -0.14 -0.04 2.70 2.89 2d7fL1 ILE 29 H -0.00 0.26 0.02 -0.55 8.25 7.98 2d7fL1 ILE 29 HA 0.13 0.15 0.92 -0.75 4.18 4.62 2d7fL1 ILE 29 HB 0.05 0.05 0.19 -0.04 1.89 2.13 2d7fL1 ILE 29 HG12 0.02 -0.05 -0.26 -0.04 1.49 1.16 2d7fL1 ILE 29 HG13 0.29 0.03 -0.08 -0.04 1.21 1.41 2d7fL1 ILE 29 HG23 0.12 0.00 -0.07 -0.04 0.93 0.94 2d7fL1 ILE 29 HD13 0.18 0.03 -0.17 -0.04 0.88 0.88 2d7fL1 LYS 30 H 0.22 0.65 0.09 -0.55 8.42 8.83 2d7fL1 LYS 30 HA 0.28 -0.03 0.31 -0.75 4.32 4.12 2d7fL1 LYS 30 HB2 0.07 0.15 -0.19 -0.04 1.87 1.85 2d7fL1 LYS 30 HB3 0.08 -0.02 0.20 -0.04 1.79 2.01 2d7fL1 LYS 30 HG2 0.11 -0.04 0.08 -0.04 1.46 1.56 2d7fL1 LYS 30 HG3 0.12 0.02 -0.06 -0.04 1.46 1.50 2d7fL1 LYS 30 HD2 0.08 0.07 -0.02 -0.04 1.69 1.78 2d7fL1 LYS 30 HD3 0.07 -0.01 -0.10 -0.04 1.68 1.61 2d7fL1 LYS 30 HE2 0.06 -0.01 0.03 -0.04 2.99 3.02 2d7fL1 LYS 30 HE3 0.07 0.02 0.02 -0.04 2.99 3.06 2d7fL1 SER 31 H -0.06 0.16 -0.52 -0.55 8.46 7.49 2d7fL1 SER 31 HA -0.75 0.01 0.54 -0.75 4.49 3.54 2d7fL1 SER 31 HB2 -0.17 0.18 -0.18 -0.04 3.95 3.74 2d7fL1 SER 31 HB3 -0.16 0.11 -0.20 -0.04 3.93 3.64 2d7fL1 VAL 32 H -1.23 0.18 0.00 -0.55 8.24 6.64 2d7fL1 VAL 32 HA -0.17 0.06 0.46 -0.75 4.13 3.73 2d7fL1 VAL 32 HB -0.29 0.02 0.09 -0.04 2.12 1.90 2d7fL1 VAL 32 HG13 -0.11 -0.02 -0.19 -0.04 0.97 0.61 2d7fL1 VAL 32 HG23 0.13 0.02 0.02 -0.04 0.95 1.08 2d7fL1 ARG 33 H -0.25 0.00 -0.42 -0.55 8.46 7.25 2d7fL1 ARG 33 HA -0.08 0.11 0.59 -0.75 4.34 4.21 2d7fL1 ARG 33 HB2 -0.11 -0.03 0.07 -0.04 1.90 1.79 2d7fL1 ARG 33 HB3 -0.08 0.06 -0.03 -0.04 1.80 1.71 2d7fL1 ARG 33 HG2 -0.07 0.37 0.06 -0.04 1.67 1.98 2d7fL1 ARG 33 HG3 -0.12 -0.17 -0.03 -0.04 1.67 1.30 2d7fL1 ARG 33 HD2 -0.07 0.02 0.02 -0.04 3.22 3.14 2d7fL1 ARG 33 HD3 -0.06 -0.04 -0.06 -0.04 3.22 3.02 2d7fL1 SER 34 H -0.04 0.21 0.04 -0.55 8.46 8.12 2d7fL1 SER 34 HA -0.05 0.05 0.18 -0.75 4.49 3.91 2d7fL1 SER 34 HB2 -0.02 -0.01 -0.05 -0.04 3.95 3.83 2d7fL1 SER 34 HB3 -0.01 0.07 0.01 -0.04 3.93 3.96 2d7fL1 LYS 35 H -0.20 0.44 0.37 -0.55 8.42 8.48 2d7fL1 LYS 35 HA -0.20 0.13 0.61 -0.75 4.32 4.10 2d7fL1 LYS 35 HB2 -1.09 -0.04 0.06 -0.04 1.87 0.76 2d7fL1 LYS 35 HB3 -1.04 -0.03 0.10 -0.04 1.79 0.78 2d7fL1 LYS 35 HG2 -0.23 -0.13 0.12 -0.04 1.46 1.18 2d7fL1 LYS 35 HG3 -0.30 -0.04 0.04 -0.04 1.46 1.12 2d7fL1 LYS 35 HD2 -0.08 -0.04 0.07 -0.04 1.69 1.59 2d7fL1 LYS 35 HD3 -0.13 0.15 -0.01 -0.04 1.68 1.66 2d7fL1 LYS 35 HE2 -0.04 0.05 0.08 -0.04 2.99 3.04 2d7fL1 LYS 35 HE3 0.02 -0.07 0.06 -0.04 2.99 2.96 2d7fL1 LYS 36 H -0.16 0.19 0.01 -0.55 8.42 7.91 2d7fL1 LYS 36 HA -0.02 0.10 0.56 -0.75 4.32 4.21 2d7fL1 LYS 36 HB2 -0.04 0.08 -0.15 -0.04 1.87 1.72 2d7fL1 LYS 36 HB3 0.00 -0.12 0.02 -0.04 1.79 1.64 2d7fL1 LYS 36 HG2 0.15 0.39 0.20 -0.04 1.46 2.16 2d7fL1 LYS 36 HG3 0.08 0.00 0.07 -0.04 1.46 1.56 2d7fL1 LYS 36 HD2 0.06 0.03 0.25 -0.04 1.69 1.99 2d7fL1 LYS 36 HD3 0.16 -0.03 0.18 -0.04 1.68 1.95 2d7fL1 LYS 36 HE2 0.07 0.08 0.16 -0.04 2.99 3.27 2d7fL1 LYS 36 HE3 0.07 -0.05 0.12 -0.04 2.99 3.10 2d7fL1 THR 37 H 0.04 0.26 0.22 -0.55 8.28 8.25 2d7fL1 THR 37 HA 0.11 0.30 0.92 -0.75 4.39 4.96 2d7fL1 THR 37 HB 0.18 0.07 0.15 -0.04 4.32 4.69 2d7fL1 THR 37 HG23 -0.02 -0.01 -0.16 -0.04 1.22 0.99 2d7fL1 ALA 38 H 0.21 0.60 0.35 -0.55 8.40 9.02 2d7fL1 ALA 38 HA 0.13 0.08 0.71 -0.75 4.34 4.51 2d7fL1 ALA 38 HB3 0.10 -0.02 0.04 -0.04 1.41 1.49 2d7fL1 LYS 39 H 0.03 0.11 0.15 -0.55 8.42 8.16 2d7fL1 LYS 39 HA 0.18 0.22 0.62 -0.75 4.32 4.58 2d7fL1 LYS 39 HB2 -0.73 -0.01 0.11 -0.04 1.87 1.19 2d7fL1 LYS 39 HB3 -0.17 -0.04 0.09 -0.04 1.79 1.63 2d7fL1 LYS 39 HG2 -0.15 -0.07 -0.23 -0.04 1.46 0.98 2d7fL1 LYS 39 HG3 -0.31 0.17 0.01 -0.04 1.46 1.28 2d7fL1 LYS 39 HD2 -0.33 0.02 -0.03 -0.04 1.69 1.31 2d7fL1 LYS 39 HD3 -1.11 -0.01 -0.03 -0.04 1.68 0.49 2d7fL1 LYS 39 HE2 -0.24 -0.02 0.00 -0.04 2.99 2.69 2d7fL1 LYS 39 HE3 -0.15 -0.02 -0.05 -0.04 2.99 2.73 2d7fL1 TRP 40 H 0.33 0.76 0.12 -0.55 7.97 8.63 2d7fL1 TRP 40 HA 0.07 0.09 0.72 -0.75 4.62 4.74 2d7fL1 TRP 40 HB2 0.10 -0.03 -0.36 -0.04 3.23 2.89 2d7fL1 TRP 40 HB3 0.10 0.01 -0.47 -0.04 3.23 2.83 2d7fL1 TRP 40 HD1 0.13 0.02 -0.24 -0.04 7.22 7.09 2d7fL1 TRP 40 HE1 0.35 0.02 -0.30 -0.04 10.20 10.22 2d7fL1 TRP 40 HE3 -0.00 0.17 -0.33 -0.04 7.59 7.39 2d7fL1 TRP 40 HZ2 0.49 -0.01 -0.13 -0.04 7.44 7.75 2d7fL1 TRP 40 HZ3 -0.01 0.01 -0.59 -0.04 7.13 6.50 2d7fL1 TRP 40 HH2 0.02 -0.01 -0.14 -0.04 7.19 7.01 2d7fL1 ASN 41 H 0.10 0.18 -0.10 -0.55 8.53 8.17 2d7fL1 ASN 41 HA -0.24 0.15 0.64 -0.75 4.76 4.56 2d7fL1 ASN 41 HB2 -0.06 0.01 0.01 -0.04 2.88 2.80 2d7fL1 ASN 41 HB3 -0.00 -0.04 0.08 -0.04 2.79 2.79 2d7fL1 ASN 41 HD21 -0.10 -0.01 -0.07 -0.04 7.03 6.81 2d7fL1 ASN 41 HD22 -0.03 -0.03 -0.02 -0.04 7.74 7.61 2d7fL1 MET 42 H -0.82 0.34 0.03 -0.55 8.47 7.47 2d7fL1 MET 42 HA -0.79 0.02 0.48 -0.75 4.52 3.48 2d7fL1 MET 42 HB2 -1.82 0.04 -0.03 -0.04 2.15 0.30 2d7fL1 MET 42 HB3 -0.60 0.02 0.06 -0.04 2.03 1.47 2d7fL1 MET 42 HG2 -0.10 -0.02 -0.07 -0.04 2.63 2.40 2d7fL1 MET 42 HG3 -0.29 -0.03 -0.13 -0.04 2.56 2.08 2d7fL1 MET 42 HE3 -0.17 -0.01 -0.13 -0.04 2.10 1.75 2d7fL1 GLN 43 H -0.70 0.15 0.05 -0.55 8.47 7.42 2d7fL1 GLN 43 HA -0.33 0.13 0.83 -0.75 4.36 4.23 2d7fL1 GLN 43 HB2 -1.28 -0.06 0.11 -0.04 2.15 0.87 2d7fL1 GLN 43 HB3 -0.43 0.04 -0.01 -0.04 2.02 1.58 2d7fL1 GLN 43 HG2 -0.35 0.05 -0.17 -0.04 2.40 1.88 2d7fL1 GLN 43 HG3 -0.79 0.14 -0.09 -0.04 2.39 1.62 2d7fL1 GLN 43 HE21 0.02 -0.14 -0.03 -0.04 6.97 6.79 2d7fL1 GLN 43 HE22 -0.03 0.10 -0.05 -0.04 7.69 7.67 2d7fL1 ASN 44 H -0.18 0.20 0.07 -0.55 8.53 8.06 2d7fL1 ASN 44 HA -0.05 0.13 0.44 -0.75 4.76 4.52 2d7fL1 ASN 44 HB2 -0.12 0.04 0.13 -0.04 2.88 2.89 2d7fL1 ASN 44 HB3 -0.08 0.01 0.16 -0.04 2.79 2.84 2d7fL1 ASN 44 HD21 -0.01 0.30 0.14 -0.04 7.03 7.41 2d7fL1 ASN 44 HD22 -0.04 -0.02 0.02 -0.04 7.74 7.67 2d7fL1 GLY 45 H 0.02 0.66 0.46 -0.55 8.43 9.03 2d7fL1 GLY 45 HA2 0.03 -0.06 0.24 -0.51 4.01 3.71 2d7fL1 GLY 45 HA3 -0.00 0.05 0.37 -0.51 4.01 3.91 2d7fL1 LYS 46 H -0.01 0.47 -0.17 -0.55 8.42 8.16 2d7fL1 LYS 46 HA 0.03 0.11 0.82 -0.75 4.32 4.53 2d7fL1 LYS 46 HB2 -0.23 0.04 -0.00 -0.04 1.87 1.63 2d7fL1 LYS 46 HB3 0.09 -0.02 0.06 -0.04 1.79 1.88 2d7fL1 LYS 46 HG2 -0.12 0.14 -0.33 -0.04 1.46 1.11 2d7fL1 LYS 46 HG3 -0.19 -0.08 -0.08 -0.04 1.46 1.07 2d7fL1 LYS 46 HD2 -0.00 -0.05 0.03 -0.04 1.69 1.63 2d7fL1 LYS 46 HD3 -0.02 0.09 -0.13 -0.04 1.68 1.58 2d7fL1 LYS 46 HE2 -0.05 -0.06 -0.02 -0.04 2.99 2.82 2d7fL1 LYS 46 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.89 2d7fL1 VAL 47 H 0.06 0.11 0.19 -0.55 8.24 8.05 2d7fL1 VAL 47 HA -0.09 0.40 1.07 -0.75 4.13 4.75 2d7fL1 VAL 47 HB -0.00 -0.06 0.20 -0.04 2.12 2.21 2d7fL1 VAL 47 HG13 -0.06 0.01 -0.06 -0.04 0.97 0.82 2d7fL1 VAL 47 HG23 0.02 -0.00 0.01 -0.04 0.95 0.94 2d7fL1 GLY 48 H -0.80 0.44 0.34 -0.55 8.43 7.86 2d7fL1 GLY 48 HA2 -0.83 0.24 0.99 -0.51 4.01 3.91 2d7fL1 GLY 48 HA3 -1.48 -0.04 0.37 -0.51 4.01 2.34 2d7fL1 THR 49 H -0.35 0.76 0.42 -0.55 8.28 8.56 2d7fL1 THR 49 HA -0.20 0.23 1.12 -0.75 4.39 4.79 2d7fL1 THR 49 HB -0.15 -0.06 0.10 -0.04 4.32 4.17 2d7fL1 THR 49 HG23 -0.39 -0.00 -0.17 -0.04 1.22 0.62 2d7fL1 ALA 50 H -0.52 0.77 0.43 -0.55 8.40 8.53 2d7fL1 ALA 50 HA -0.30 0.35 1.15 -0.75 4.34 4.78 2d7fL1 ALA 50 HB3 -0.85 -0.02 0.06 -0.04 1.41 0.56 2d7fL1 HIS 51 H -0.09 0.70 0.42 -0.55 8.41 8.89 2d7fL1 HIS 51 HA -0.05 0.29 1.12 -0.75 4.63 5.23 2d7fL1 HIS 51 HB2 -0.04 -0.09 0.16 -0.04 3.26 3.25 2d7fL1 HIS 51 HB3 -0.03 0.01 0.05 -0.04 3.20 3.18 2d7fL1 HIS 51 HD2 -0.05 0.03 -0.11 -0.04 6.97 6.80 2d7fL1 HIS 51 HE1 -0.01 -0.02 -0.08 -0.04 7.75 7.59 2d7fL1 ILE 52 H 0.05 0.76 0.47 -0.55 8.25 8.98 2d7fL1 ILE 52 HA 0.08 0.32 1.18 -0.75 4.18 5.00 2d7fL1 ILE 52 HB -0.07 -0.10 0.14 -0.04 1.89 1.81 2d7fL1 ILE 52 HG12 0.19 -0.00 -0.05 -0.04 1.49 1.58 2d7fL1 ILE 52 HG13 0.05 0.09 -0.35 -0.04 1.21 0.95 2d7fL1 ILE 52 HG23 0.30 0.02 -0.13 -0.04 0.93 1.08 2d7fL1 ILE 52 HD13 0.03 0.01 -0.18 -0.04 0.88 0.70 2d7fL1 ILE 53 H 0.06 0.73 0.43 -0.55 8.25 8.92 2d7fL1 ILE 53 HA -0.04 0.23 1.20 -0.75 4.18 4.81 2d7fL1 ILE 53 HB -0.02 -0.03 0.10 -0.04 1.89 1.90 2d7fL1 ILE 53 HG12 -0.04 0.01 -0.01 -0.04 1.49 1.41 2d7fL1 ILE 53 HG13 0.01 -0.06 -0.75 -0.04 1.21 0.37 2d7fL1 ILE 53 HG23 -0.10 -0.01 -0.07 -0.04 0.93 0.72 2d7fL1 ILE 53 HD13 -0.04 -0.01 -0.12 -0.04 0.88 0.67 2d7fL1 TYR 54 H -0.27 0.68 0.49 -0.55 8.29 8.63 2d7fL1 TYR 54 HA -0.22 0.29 0.71 -0.75 4.56 4.59 2d7fL1 TYR 54 HB2 -0.57 0.05 -0.03 -0.04 3.06 2.47 2d7fL1 TYR 54 HB3 -1.95 -0.03 0.07 -0.04 2.98 1.03 2d7fL1 TYR 54 HD2 -0.16 0.03 -0.27 -0.04 7.15 6.70 2d7fL1 TYR 54 HE2 0.03 0.11 -0.16 -0.04 6.85 6.79 2d7fL1 ASN 55 H -0.79 0.25 0.28 -0.55 8.53 7.72 2d7fL1 ASN 55 HA -0.41 0.31 0.81 -0.75 4.76 4.71 2d7fL1 ASN 55 HB2 -0.20 0.01 0.17 -0.04 2.88 2.82 2d7fL1 ASN 55 HB3 -0.24 0.11 -0.01 -0.04 2.79 2.61 2d7fL1 ASN 55 HD21 -0.16 0.02 0.05 -0.04 7.03 6.90 2d7fL1 ASN 55 HD22 -0.19 0.09 -0.02 -0.04 7.74 7.58 2d7fL1 SER 56 H -0.19 0.58 0.34 -0.55 8.46 8.65 2d7fL1 SER 56 HA -0.18 0.04 0.45 -0.75 4.49 4.05 2d7fL1 SER 56 HB2 0.01 0.05 0.18 -0.04 3.95 4.15 2d7fL1 SER 56 HB3 0.09 0.08 0.24 -0.04 3.93 4.30 2d7fL1 VAL 57 H -0.20 -0.07 -0.42 -0.55 8.24 7.00 2d7fL1 VAL 57 HA -0.08 0.22 0.62 -0.75 4.13 4.13 2d7fL1 VAL 57 HB -0.11 -0.10 0.13 -0.04 2.12 2.00 2d7fL1 VAL 57 HG13 -0.07 0.02 -0.04 -0.04 0.97 0.84 2d7fL1 VAL 57 HG23 -0.08 0.00 0.05 -0.04 0.95 0.89 2d7fL1 GLY 58 H -0.17 0.00 0.07 -0.55 8.43 7.78 2d7fL1 GLY 58 HA2 -0.09 0.14 0.48 -0.51 4.01 4.04 2d7fL1 GLY 58 HA3 -0.12 -0.02 0.30 -0.51 4.01 3.65 2d7fL1 LYS 59 H -0.28 0.22 -0.16 -0.55 8.42 7.65 2d7fL1 LYS 59 HA -0.17 0.00 0.36 -0.75 4.32 3.76 2d7fL1 LYS 59 HB2 -0.06 0.13 -0.35 -0.04 1.87 1.56 2d7fL1 LYS 59 HB3 0.01 -0.04 0.04 -0.04 1.79 1.76 2d7fL1 LYS 59 HG2 0.03 -0.17 0.08 -0.04 1.46 1.36 2d7fL1 LYS 59 HG3 -0.07 0.24 -0.24 -0.04 1.46 1.34 2d7fL1 LYS 59 HD2 -0.05 0.04 -0.10 -0.04 1.69 1.55 2d7fL1 LYS 59 HD3 -0.03 -0.11 -0.05 -0.04 1.68 1.45 2d7fL1 LYS 59 HE2 -0.04 0.03 0.06 -0.04 2.99 2.99 2d7fL1 LYS 59 HE3 -0.04 -0.09 0.03 -0.04 2.99 2.85 2d7fL1 ARG 60 H -0.22 0.08 0.00 -0.55 8.46 7.78 2d7fL1 ARG 60 HA 0.03 0.22 1.02 -0.75 4.34 4.85 2d7fL1 ARG 60 HB2 -0.04 0.14 -0.24 -0.04 1.90 1.73 2d7fL1 ARG 60 HB3 -0.05 -0.10 -0.03 -0.04 1.80 1.57 2d7fL1 ARG 60 HG2 0.04 0.02 -0.43 -0.04 1.67 1.26 2d7fL1 ARG 60 HG3 0.00 -0.03 -0.26 -0.04 1.67 1.35 2d7fL1 ARG 60 HD2 -0.01 -0.04 -0.14 -0.04 3.22 2.99 2d7fL1 ARG 60 HD3 0.02 -0.03 -0.15 -0.04 3.22 3.02 2d7fL1 LEU 61 H 0.17 0.74 0.32 -0.55 8.37 9.06 2d7fL1 LEU 61 HA 0.24 0.27 1.08 -0.75 4.35 5.19 2d7fL1 LEU 61 HB2 0.23 -0.06 0.06 -0.04 1.64 1.83 2d7fL1 LEU 61 HB3 0.24 0.04 0.21 -0.04 1.64 2.09 2d7fL1 LEU 61 HG 0.21 0.01 -0.24 -0.04 1.64 1.58 2d7fL1 LEU 61 HD13 0.26 0.04 -0.06 -0.04 0.93 1.13 2d7fL1 LEU 61 HD23 0.22 -0.02 -0.13 -0.04 0.89 0.92 2d7fL1 SER 62 H 0.08 0.62 0.41 -0.55 8.46 9.02 2d7fL1 SER 62 HA 0.09 0.30 1.17 -0.75 4.49 5.29 2d7fL1 SER 62 HB2 0.02 -0.05 0.03 -0.04 3.95 3.91 2d7fL1 SER 62 HB3 0.03 0.02 0.02 -0.04 3.93 3.96 2d7fL1 ALA 63 H 0.06 0.71 0.41 -0.55 8.40 9.02 2d7fL1 ALA 63 HA 0.04 0.37 1.01 -0.75 4.34 5.02 2d7fL1 ALA 63 HB3 0.04 -0.02 -0.00 -0.04 1.41 1.39 2d7fL1 VAL 64 H 0.03 0.43 0.35 -0.55 8.24 8.50 2d7fL1 VAL 64 HA 0.00 0.29 0.99 -0.75 4.13 4.65 2d7fL1 VAL 64 HB 0.07 -0.02 -0.25 -0.04 2.12 1.88 2d7fL1 VAL 64 HG13 0.04 -0.00 -0.08 -0.04 0.97 0.88 2d7fL1 VAL 64 HG23 0.06 -0.02 0.01 -0.04 0.95 0.95 2d7fL1 VAL 65 H -0.06 0.66 0.35 -0.55 8.24 8.65 2d7fL1 VAL 65 HA -0.15 0.32 1.16 -0.75 4.13 4.70 2d7fL1 VAL 65 HB -0.46 -0.06 0.06 -0.04 2.12 1.62 2d7fL1 VAL 65 HG13 -0.21 -0.00 -0.16 -0.04 0.97 0.56 2d7fL1 VAL 65 HG23 -0.55 -0.01 -0.15 -0.04 0.95 0.20 2d7fL1 SER 66 H -0.08 0.70 0.42 -0.55 8.46 8.95 2d7fL1 SER 66 HA 0.13 0.30 0.98 -0.75 4.49 5.15 2d7fL1 SER 66 HB2 0.07 0.13 0.06 -0.04 3.95 4.17 2d7fL1 SER 66 HB3 0.06 -0.08 -0.16 -0.04 3.93 3.70 2d7fL1 TYR 67 H 0.19 0.53 0.28 -0.55 8.29 8.74 2d7fL1 TYR 67 HA 0.00 0.29 0.91 -0.75 4.56 5.01 2d7fL1 TYR 67 HB2 0.06 -0.02 0.08 -0.04 3.06 3.15 2d7fL1 TYR 67 HB3 0.02 -0.06 0.09 -0.04 2.98 2.99 2d7fL1 TYR 67 HD2 0.09 0.08 -0.21 -0.04 7.15 7.07 2d7fL1 TYR 67 HE2 0.19 0.14 -0.20 -0.04 6.85 6.93 2d7fL1 PRO 68 HA 0.06 0.11 0.46 -0.51 4.44 4.57 2d7fL1 PRO 68 HB2 0.05 0.01 0.09 -0.04 2.28 2.39 2d7fL1 PRO 68 HB3 0.04 0.04 0.13 -0.04 2.02 2.19 2d7fL1 PRO 68 HG2 0.06 0.01 0.16 -0.04 2.03 2.22 2d7fL1 PRO 68 HG3 0.04 0.06 0.12 -0.04 2.03 2.20 2d7fL1 PRO 68 HD2 0.21 0.02 0.25 -0.04 3.68 4.11 2d7fL1 PRO 68 HD3 0.14 0.51 0.40 -0.04 3.65 4.66 2d7fL1 ASN 69 H 0.09 0.10 -0.14 -0.55 8.53 8.03 2d7fL1 ASN 69 HA 0.04 0.12 0.53 -0.75 4.76 4.68 2d7fL1 ASN 69 HB2 0.02 0.04 0.16 -0.04 2.88 3.06 2d7fL1 ASN 69 HB3 0.02 0.01 0.10 -0.04 2.79 2.88 2d7fL1 ASN 69 HD21 -0.01 0.02 -0.02 -0.04 7.03 6.98 2d7fL1 ASN 69 HD22 -0.01 0.03 0.01 -0.04 7.74 7.73 2d7fL1 GLY 70 H 0.09 0.43 -0.58 -0.55 8.43 7.82 2d7fL1 GLY 70 HA2 0.06 0.03 0.28 -0.51 4.01 3.87 2d7fL1 GLY 70 HA3 0.05 0.08 0.46 -0.51 4.01 4.08 2d7fL1 ASP 71 H 0.10 -0.04 -0.40 -0.55 8.40 7.51 2d7fL1 ASP 71 HA 0.08 0.11 0.63 -0.75 4.63 4.70 2d7fL1 ASP 71 HB2 0.06 0.03 0.03 -0.04 2.71 2.78 2d7fL1 ASP 71 HB3 0.11 -0.07 0.07 -0.04 2.70 2.77 2d7fL1 SER 72 H 0.11 0.19 0.25 -0.55 8.46 8.46 2d7fL1 SER 72 HA 0.20 0.19 0.61 -0.75 4.49 4.75 2d7fL1 SER 72 HB2 0.09 0.02 0.04 -0.04 3.95 4.05 2d7fL1 SER 72 HB3 0.09 0.06 -0.32 -0.04 3.93 3.72 2d7fL1 ALA 73 H 0.13 0.62 0.39 -0.55 8.40 9.00 2d7fL1 ALA 73 HA 0.11 0.16 0.93 -0.75 4.34 4.78 2d7fL1 ALA 73 HB3 0.20 -0.01 0.01 -0.04 1.41 1.58 2d7fL1 THR 74 H 0.06 0.30 0.23 -0.55 8.28 8.32 2d7fL1 THR 74 HA 0.02 0.32 1.14 -0.75 4.39 5.12 2d7fL1 THR 74 HB 0.04 -0.03 0.06 -0.04 4.32 4.35 2d7fL1 THR 74 HG23 0.03 -0.00 -0.14 -0.04 1.22 1.07 2d7fL1 VAL 75 H 0.04 0.73 0.40 -0.55 8.24 8.86 2d7fL1 VAL 75 HA 0.07 0.13 0.63 -0.75 4.13 4.20 2d7fL1 VAL 75 HB 0.07 0.02 -0.30 -0.04 2.12 1.87 2d7fL1 VAL 75 HG13 0.06 -0.01 -0.31 -0.04 0.97 0.66 2d7fL1 VAL 75 HG23 0.08 0.06 -0.32 -0.04 0.95 0.74 2d7fL1 SER 76 H 0.09 0.31 0.18 -0.55 8.46 8.50 2d7fL1 SER 76 HA 0.11 0.30 0.92 -0.75 4.49 5.06 2d7fL1 SER 76 HB2 0.06 -0.02 -0.01 -0.04 3.95 3.94 2d7fL1 SER 76 HB3 0.06 -0.00 -0.07 -0.04 3.93 3.88 2d7fL1 TYR 77 H 0.17 0.57 0.22 -0.55 8.29 8.70 2d7fL1 TYR 77 HA 0.04 0.07 0.58 -0.75 4.56 4.50 2d7fL1 TYR 77 HB2 0.06 0.05 -0.14 -0.04 3.06 2.98 2d7fL1 TYR 77 HB3 0.07 -0.03 0.02 -0.04 2.98 3.00 2d7fL1 TYR 77 HD2 0.05 -0.04 -0.05 -0.04 7.15 7.07 2d7fL1 TYR 77 HE2 0.03 -0.02 -0.01 -0.04 6.85 6.81 2d7fL1 ASP 78 H -0.28 0.16 0.14 -0.55 8.40 7.87 2d7fL1 ASP 78 HA -0.11 0.23 0.92 -0.75 4.63 4.91 2d7fL1 ASP 78 HB2 -0.24 -0.04 0.22 -0.04 2.71 2.61 2d7fL1 ASP 78 HB3 -0.14 0.05 0.04 -0.04 2.70 2.61 2d7fL1 VAL 79 H -0.02 0.72 0.37 -0.55 8.24 8.75 2d7fL1 VAL 79 HA -0.10 0.09 0.69 -0.75 4.13 4.04 2d7fL1 VAL 79 HB -0.15 0.11 -0.54 -0.04 2.12 1.50 2d7fL1 VAL 79 HG13 0.12 -0.02 -0.21 -0.04 0.97 0.82 2d7fL1 VAL 79 HG23 0.10 0.00 -0.15 -0.04 0.95 0.87 2d7fL1 ASP 80 H -0.00 0.24 0.07 -0.55 8.40 8.16 2d7fL1 ASP 80 HA 0.11 0.12 0.85 -0.75 4.63 4.96 2d7fL1 ASP 80 HB2 -0.02 0.09 0.05 -0.04 2.71 2.79 2d7fL1 ASP 80 HB3 -0.04 0.01 0.20 -0.04 2.70 2.83 2d7fL1 LEU 81 H 0.10 0.26 -0.04 -0.55 8.37 8.15 2d7fL1 LEU 81 HA -0.01 0.11 0.44 -0.75 4.35 4.14 2d7fL1 LEU 81 HB2 -0.17 0.02 -0.03 -0.04 1.64 1.42 2d7fL1 LEU 81 HB3 0.02 0.04 -0.04 -0.04 1.64 1.62 2d7fL1 LEU 81 HG -0.50 0.01 -0.13 -0.04 1.64 0.98 2d7fL1 LEU 81 HD13 -0.62 0.01 -0.12 -0.04 0.93 0.17 2d7fL1 LEU 81 HD23 0.01 0.01 -0.12 -0.04 0.89 0.75 2d7fL1 ASP 82 H -0.13 0.09 -0.21 -0.55 8.40 7.60 2d7fL1 ASP 82 HA -1.59 0.07 0.41 -0.75 4.63 2.77 2d7fL1 ASP 82 HB2 -0.31 -0.04 -0.05 -0.04 2.71 2.27 2d7fL1 ASP 82 HB3 -0.70 0.05 -0.17 -0.04 2.70 1.84 2d7fL1 ASN 83 H -0.17 0.35 -0.41 -0.55 8.53 7.76 2d7fL1 ASN 83 HA -0.17 0.12 0.53 -0.75 4.76 4.49 2d7fL1 ASN 83 HB2 -0.05 0.10 0.05 -0.04 2.88 2.93 2d7fL1 ASN 83 HB3 -0.05 0.00 0.11 -0.04 2.79 2.82 2d7fL1 ASN 83 HD21 -0.07 -0.01 -0.00 -0.04 7.03 6.90 2d7fL1 ASN 83 HD22 -0.05 0.01 0.04 -0.04 7.74 7.69 2d7fL1 VAL 84 H -0.04 0.27 -0.54 -0.55 8.24 7.39 2d7fL1 VAL 84 HA 0.06 0.17 0.81 -0.75 4.13 4.42 2d7fL1 VAL 84 HB 0.06 -0.06 0.04 -0.04 2.12 2.12 2d7fL1 VAL 84 HG13 0.09 -0.01 -0.15 -0.04 0.97 0.86 2d7fL1 VAL 84 HG23 0.05 0.02 -0.20 -0.04 0.95 0.78 2d7fL1 LEU 85 H 0.16 0.56 0.13 -0.55 8.37 8.68 2d7fL1 LEU 85 HA 0.18 0.10 0.35 -0.75 4.35 4.22 2d7fL1 LEU 85 HB2 0.37 -0.01 -0.04 -0.04 1.64 1.92 2d7fL1 LEU 85 HB3 0.24 0.20 -0.10 -0.04 1.64 1.94 2d7fL1 LEU 85 HG 0.12 -0.10 -0.12 -0.04 1.64 1.50 2d7fL1 LEU 85 HD13 0.10 -0.02 -0.14 -0.04 0.93 0.83 2d7fL1 LEU 85 HD23 0.09 0.01 -0.25 -0.04 0.89 0.71 2d7fL1 PRO 86 HA 0.26 0.07 0.67 -0.51 4.44 4.94 2d7fL1 PRO 86 HB2 0.08 0.04 0.12 -0.04 2.28 2.48 2d7fL1 PRO 86 HB3 0.11 0.02 0.17 -0.04 2.02 2.28 2d7fL1 PRO 86 HG2 0.09 0.13 -0.05 -0.04 2.03 2.16 2d7fL1 PRO 86 HG3 0.09 -0.10 0.14 -0.04 2.03 2.12 2d7fL1 PRO 86 HD2 0.13 0.06 0.09 -0.04 3.68 3.93 2d7fL1 PRO 86 HD3 0.13 0.16 0.13 -0.04 3.65 4.03 2d7fL1 GLU 87 H -0.26 0.11 0.12 -0.55 8.60 8.02 2d7fL1 GLU 87 HA -1.98 0.02 0.34 -0.75 4.29 1.93 2d7fL1 GLU 87 HB2 -1.34 0.01 0.11 -0.04 2.09 0.83 2d7fL1 GLU 87 HB3 -0.36 -0.05 0.12 -0.04 1.99 1.66 2d7fL1 GLU 87 HG2 -0.68 -0.03 -0.13 -0.04 2.34 1.46 2d7fL1 GLU 87 HG3 -0.98 0.34 0.09 -0.04 2.34 1.75 2d7fL1 TRP 88 H 0.03 0.07 -0.08 -0.55 7.97 7.44 2d7fL1 TRP 88 HA -0.08 0.33 1.01 -0.75 4.62 5.12 2d7fL1 TRP 88 HB2 -0.13 -0.08 0.08 -0.04 3.23 3.05 2d7fL1 TRP 88 HB3 -0.11 0.05 -0.05 -0.04 3.23 3.08 2d7fL1 TRP 88 HD1 -0.26 -0.06 -0.06 -0.04 7.22 6.80 2d7fL1 TRP 88 HE1 -0.50 -0.02 -0.05 -0.04 10.20 9.59 2d7fL1 TRP 88 HE3 -0.06 0.02 -0.47 -0.04 7.59 7.04 2d7fL1 TRP 88 HZ2 -0.42 -0.02 -0.04 -0.04 7.44 6.92 2d7fL1 TRP 88 HZ3 0.01 0.15 -0.26 -0.04 7.13 6.99 2d7fL1 TRP 88 HH2 -0.05 0.01 -0.05 -0.04 7.19 7.06 2d7fL1 VAL 89 H 0.19 0.53 0.34 -0.55 8.24 8.75 2d7fL1 VAL 89 HA 0.07 0.10 0.89 -0.75 4.13 4.43 2d7fL1 VAL 89 HB -0.00 0.17 0.11 -0.04 2.12 2.36 2d7fL1 VAL 89 HG13 0.05 -0.04 -0.41 -0.04 0.97 0.52 2d7fL1 VAL 89 HG23 0.01 -0.01 -0.16 -0.04 0.95 0.76 2d7fL1 ARG 90 H 0.00 0.60 0.12 -0.55 8.46 8.63 2d7fL1 ARG 90 HA 0.02 0.17 0.62 -0.75 4.34 4.39 2d7fL1 ARG 90 HB2 -0.02 0.05 0.06 -0.04 1.90 1.95 2d7fL1 ARG 90 HB3 -0.05 0.04 0.06 -0.04 1.80 1.81 2d7fL1 ARG 90 HG2 -0.01 0.08 0.09 -0.04 1.67 1.78 2d7fL1 ARG 90 HG3 -0.03 -0.19 0.02 -0.04 1.67 1.43 2d7fL1 ARG 90 HD2 -0.08 0.20 0.07 -0.04 3.22 3.38 2d7fL1 ARG 90 HD3 -0.07 -0.02 -0.02 -0.04 3.22 3.07 2d7fL1 VAL 91 H -0.05 0.27 0.20 -0.55 8.24 8.11 2d7fL1 VAL 91 HA -0.49 0.35 1.16 -0.75 4.13 4.39 2d7fL1 VAL 91 HB -0.21 0.04 0.08 -0.04 2.12 1.99 2d7fL1 VAL 91 HG13 -0.41 -0.02 -0.18 -0.04 0.97 0.32 2d7fL1 VAL 91 HG23 -0.29 -0.02 -0.05 -0.04 0.95 0.54 2d7fL1 GLY 92 H -0.99 0.65 0.42 -0.55 8.43 7.96 2d7fL1 GLY 92 HA2 0.12 0.05 0.89 -0.51 4.01 4.56 2d7fL1 GLY 92 HA3 -0.59 0.06 0.32 -0.51 4.01 3.30 2d7fL1 LEU 93 H -0.40 0.77 0.48 -0.55 8.37 8.67 2d7fL1 LEU 93 HA -0.39 0.35 1.08 -0.75 4.35 4.63 2d7fL1 LEU 93 HB2 -0.63 -0.05 0.16 -0.04 1.64 1.08 2d7fL1 LEU 93 HB3 -0.61 0.02 0.10 -0.04 1.64 1.11 2d7fL1 LEU 93 HG -2.34 -0.06 -0.14 -0.04 1.64 -0.95 2d7fL1 LEU 93 HD13 -0.90 -0.01 -0.03 -0.04 0.93 -0.06 2d7fL1 LEU 93 HD23 -1.02 0.02 0.03 -0.04 0.89 -0.11 2d7fL1 SER 94 H -0.14 0.63 0.42 -0.55 8.46 8.82 2d7fL1 SER 94 HA -0.10 0.25 1.00 -0.75 4.49 4.88 2d7fL1 SER 94 HB2 -0.28 -0.06 -0.23 -0.04 3.95 3.34 2d7fL1 SER 94 HB3 -0.16 -0.08 -0.01 -0.04 3.93 3.63 2d7fL1 ALA 95 H -0.10 0.62 0.38 -0.55 8.40 8.76 2d7fL1 ALA 95 HA -0.06 0.19 0.72 -0.75 4.34 4.43 2d7fL1 ALA 95 HB3 -0.05 -0.02 0.03 -0.04 1.41 1.33 2d7fL1 SER 96 H -0.01 0.48 0.34 -0.55 8.46 8.72 2d7fL1 SER 96 HA -0.02 0.20 0.74 -0.75 4.49 4.65 2d7fL1 SER 96 HB2 -0.02 -0.09 0.32 -0.04 3.95 4.13 2d7fL1 SER 96 HB3 -0.04 0.06 -0.27 -0.04 3.93 3.65 2d7fL1 THR 97 H -0.01 0.64 0.45 -0.55 8.28 8.81 2d7fL1 THR 97 HA 0.02 0.11 0.14 -0.75 4.39 3.91 2d7fL1 THR 97 HB 0.01 0.05 0.35 -0.04 4.32 4.69 2d7fL1 THR 97 HG23 0.02 0.08 0.21 -0.04 1.22 1.50 2d7fL1 GLY 98 H -0.00 0.93 0.13 -0.55 8.43 8.94 2d7fL1 GLY 98 HA2 -0.03 0.15 0.84 -0.51 4.01 4.46 2d7fL1 GLY 98 HA3 -0.04 -0.05 0.37 -0.51 4.01 3.78 2d7fL1 LEU 99 H -0.06 0.12 0.16 -0.55 8.37 8.04 2d7fL1 LEU 99 HA -0.11 0.12 0.62 -0.75 4.35 4.23 2d7fL1 LEU 99 HB2 -0.09 -0.02 0.13 -0.04 1.64 1.61 2d7fL1 LEU 99 HB3 -0.22 0.06 0.07 -0.04 1.64 1.51 2d7fL1 LEU 99 HG -0.09 0.05 0.05 -0.04 1.64 1.61 2d7fL1 LEU 99 HD13 -0.04 0.00 -0.08 -0.04 0.93 0.77 2d7fL1 LEU 99 HD23 -0.03 0.01 0.02 -0.04 0.89 0.84 2d7fL1 TYR 100 H 0.06 -0.01 -0.02 -0.55 8.29 7.77 2d7fL1 TYR 100 HA -0.04 0.29 1.03 -0.75 4.56 5.09 2d7fL1 TYR 100 HB2 -0.15 -0.06 -0.21 -0.04 3.06 2.61 2d7fL1 TYR 100 HB3 0.02 0.24 0.04 -0.04 2.98 3.24 2d7fL1 TYR 100 HD2 -0.16 -0.05 0.02 -0.04 7.15 6.93 2d7fL1 TYR 100 HE2 0.03 -0.03 -0.03 -0.04 6.85 6.77 2d7fL1 LYS 101 H 0.15 0.30 0.24 -0.55 8.42 8.56 2d7fL1 LYS 101 HA 0.05 0.25 1.04 -0.75 4.32 4.90 2d7fL1 LYS 101 HB2 0.02 0.15 -0.22 -0.04 1.87 1.78 2d7fL1 LYS 101 HB3 0.01 -0.06 -0.50 -0.04 1.79 1.20 2d7fL1 LYS 101 HG2 0.04 -0.11 -0.05 -0.04 1.46 1.30 2d7fL1 LYS 101 HG3 0.03 0.05 -0.29 -0.04 1.46 1.21 2d7fL1 LYS 101 HD2 -0.00 -0.04 -0.35 -0.04 1.69 1.26 2d7fL1 LYS 101 HD3 -0.01 -0.03 -0.15 -0.04 1.68 1.45 2d7fL1 LYS 101 HE2 0.01 0.01 -0.03 -0.04 2.99 2.93 2d7fL1 LYS 101 HE3 -0.01 -0.00 0.01 -0.04 2.99 2.95 2d7fL1 GLU 102 H 0.05 0.41 0.32 -0.55 8.60 8.83 2d7fL1 GLU 102 HA 0.05 0.18 0.66 -0.75 4.29 4.44 2d7fL1 GLU 102 HB2 0.08 -0.01 -0.09 -0.04 2.09 2.03 2d7fL1 GLU 102 HB3 0.07 -0.12 -0.17 -0.04 1.99 1.74 2d7fL1 GLU 102 HG2 0.07 0.16 -0.02 -0.04 2.34 2.51 2d7fL1 GLU 102 HG3 0.08 0.13 -0.48 -0.04 2.34 2.04 2d7fL1 THR 103 H 0.05 0.64 0.40 -0.55 8.28 8.82 2d7fL1 THR 103 HA 0.04 0.09 0.73 -0.75 4.39 4.49 2d7fL1 THR 103 HB 0.05 -0.01 0.10 -0.04 4.32 4.42 2d7fL1 THR 103 HG23 0.04 0.04 0.12 -0.04 1.22 1.37 2d7fL1 ASN 104 H 0.03 0.15 0.03 -0.55 8.53 8.20 2d7fL1 ASN 104 HA 0.10 0.18 0.73 -0.75 4.76 5.02 2d7fL1 ASN 104 HB2 -0.00 -0.13 0.07 -0.04 2.88 2.78 2d7fL1 ASN 104 HB3 -0.01 0.03 0.06 -0.04 2.79 2.83 2d7fL1 ASN 104 HD21 0.08 -0.11 -0.18 -0.04 7.03 6.78 2d7fL1 ASN 104 HD22 0.09 -0.01 -0.08 -0.04 7.74 7.70 2d7fL1 THR 105 H 0.12 0.43 -0.14 -0.55 8.28 8.14 2d7fL1 THR 105 HA 0.02 0.18 0.51 -0.75 4.39 4.35 2d7fL1 THR 105 HB 0.10 0.02 0.17 -0.04 4.32 4.57 2d7fL1 THR 105 HG23 0.06 0.01 -0.20 -0.04 1.22 1.05 2d7fL1 ILE 106 H -0.04 0.91 0.47 -0.55 8.25 9.04 2d7fL1 ILE 106 HA 0.21 0.24 1.08 -0.75 4.18 4.96 2d7fL1 ILE 106 HB -0.24 -0.06 0.20 -0.04 1.89 1.75 2d7fL1 ILE 106 HG12 -0.12 0.08 -0.02 -0.04 1.49 1.40 2d7fL1 ILE 106 HG13 -0.29 -0.04 -0.03 -0.04 1.21 0.81 2d7fL1 ILE 106 HG23 0.23 0.00 -0.08 -0.04 0.93 1.04 2d7fL1 ILE 106 HD13 -0.10 0.00 -0.15 -0.04 0.88 0.60 2d7fL1 LEU 107 H 0.25 0.53 0.20 -0.55 8.37 8.81 2d7fL1 LEU 107 HA 0.28 0.15 0.81 -0.75 4.35 4.83 2d7fL1 LEU 107 HB2 0.16 -0.02 -0.10 -0.04 1.64 1.63 2d7fL1 LEU 107 HB3 0.16 0.04 -0.03 -0.04 1.64 1.76 2d7fL1 LEU 107 HG 0.13 0.04 -0.12 -0.04 1.64 1.65 2d7fL1 LEU 107 HD13 0.11 -0.04 -0.36 -0.04 0.93 0.59 2d7fL1 LEU 107 HD23 0.07 -0.00 -0.08 -0.04 0.89 0.84 2d7fL1 SER 108 H 0.41 0.32 0.28 -0.55 8.46 8.92 2d7fL1 SER 108 HA 0.36 0.30 0.43 -0.75 4.49 4.83 2d7fL1 SER 108 HB2 0.19 0.03 0.19 -0.04 3.95 4.32 2d7fL1 SER 108 HB3 0.19 0.17 0.00 -0.04 3.93 4.25 2d7fL1 TRP 109 H 0.48 0.59 0.31 -0.55 7.97 8.80 2d7fL1 TRP 109 HA 0.35 0.28 1.03 -0.75 4.62 5.53 2d7fL1 TRP 109 HB2 0.49 0.02 -0.20 -0.04 3.23 3.50 2d7fL1 TRP 109 HB3 0.73 -0.07 0.03 -0.04 3.23 3.88 2d7fL1 TRP 109 HD1 0.33 0.31 0.21 -0.04 7.22 8.02 2d7fL1 TRP 109 HE1 0.36 -0.03 -0.06 -0.04 10.20 10.44 2d7fL1 TRP 109 HE3 0.43 -0.04 -0.13 -0.04 7.59 7.81 2d7fL1 TRP 109 HZ2 0.27 -0.01 -0.24 -0.04 7.44 7.42 2d7fL1 TRP 109 HZ3 0.11 -0.02 -0.26 -0.04 7.13 6.92 2d7fL1 TRP 109 HH2 0.03 0.08 0.00 -0.04 7.19 7.26 2d7fL1 SER 110 H 0.39 0.83 0.53 -0.55 8.46 9.66 2d7fL1 SER 110 HA -0.40 0.26 0.94 -0.75 4.49 4.54 2d7fL1 SER 110 HB2 -0.13 0.06 0.22 -0.04 3.95 4.06 2d7fL1 SER 110 HB3 0.00 -0.07 0.02 -0.04 3.93 3.84 2d7fL1 PHE 111 H -0.82 0.66 0.44 -0.55 8.34 8.06 2d7fL1 PHE 111 HA -0.30 0.31 1.06 -0.75 4.62 4.93 2d7fL1 PHE 111 HB2 -0.64 0.05 -0.15 -0.04 3.15 2.37 2d7fL1 PHE 111 HB3 -2.46 -0.09 0.01 -0.04 3.06 0.47 2d7fL1 PHE 111 HD2 -0.30 -0.05 -0.14 -0.04 7.28 6.75 2d7fL1 PHE 111 HE2 0.03 -0.04 -0.15 -0.04 7.38 7.17 2d7fL1 PHE 111 HZ -0.00 -0.00 -0.14 -0.04 7.32 7.14 2d7fL1 THR 112 H -0.87 0.67 0.43 -0.55 8.28 7.95 2d7fL1 THR 112 HA -0.37 0.37 1.08 -0.75 4.39 4.71 2d7fL1 THR 112 HB -0.22 -0.09 0.14 -0.04 4.32 4.11 2d7fL1 THR 112 HG23 -0.14 -0.00 -0.12 -0.04 1.22 0.92 2d7fL1 SER 113 H -0.25 0.66 0.43 -0.55 8.46 8.75 2d7fL1 SER 113 HA -0.09 0.30 1.07 -0.75 4.49 5.01 2d7fL1 SER 113 HB2 0.18 -0.04 0.01 -0.04 3.95 4.06 2d7fL1 SER 113 HB3 0.09 -0.12 0.06 -0.04 3.93 3.93 2d7fL1 LYS 114 H 0.01 0.52 0.36 -0.55 8.42 8.75 2d7fL1 LYS 114 HA -0.01 0.33 0.90 -0.75 4.32 4.79 2d7fL1 LYS 114 HB2 -0.03 -0.12 -0.02 -0.04 1.87 1.66 2d7fL1 LYS 114 HB3 -0.03 0.06 0.11 -0.04 1.79 1.90 2d7fL1 LYS 114 HG2 -0.07 0.05 -0.69 -0.04 1.46 0.70 2d7fL1 LYS 114 HG3 -0.06 -0.04 -0.17 -0.04 1.46 1.14 2d7fL1 LYS 114 HD2 -0.04 -0.02 -0.07 -0.04 1.69 1.52 2d7fL1 LYS 114 HD3 -0.05 0.03 -0.08 -0.04 1.68 1.53 2d7fL1 LYS 114 HE2 -0.09 -0.01 -0.13 -0.04 2.99 2.72 2d7fL1 LYS 114 HE3 -0.06 -0.03 -0.08 -0.04 2.99 2.77 2d7fL1 LEU 115 H -0.02 0.65 0.22 -0.55 8.37 8.68 2d7fL1 LEU 115 HA -0.03 0.21 0.89 -0.75 4.35 4.66 2d7fL1 LEU 115 HB2 -0.08 0.01 0.09 -0.04 1.64 1.62 2d7fL1 LEU 115 HB3 -0.09 -0.08 0.10 -0.04 1.64 1.54 2d7fL1 LEU 115 HG -0.19 -0.10 -0.13 -0.04 1.64 1.17 2d7fL1 LEU 115 HD13 -0.08 -0.00 -0.22 -0.04 0.93 0.58 2d7fL1 LEU 115 HD23 -0.57 0.01 -0.16 -0.04 0.89 0.12 2d7fL1 LYS 116 H -0.02 0.81 0.24 -0.55 8.42 8.89 2d7fL1 LYS 116 HA -0.02 0.03 0.82 -0.75 4.32 4.40 2d7fL1 LYS 116 HB2 -0.03 -0.05 0.20 -0.04 1.87 1.95 2d7fL1 LYS 116 HB3 -0.03 0.02 0.08 -0.04 1.79 1.81 2d7fL1 LYS 116 HG2 -0.02 0.02 -0.05 -0.04 1.46 1.36 2d7fL1 LYS 116 HG3 -0.03 0.02 -0.09 -0.04 1.46 1.32 2d7fL1 LYS 116 HD2 -0.04 -0.01 -0.03 -0.04 1.69 1.57 2d7fL1 LYS 116 HD3 -0.03 -0.00 -0.00 -0.04 1.68 1.60 2d7fL1 LYS 116 HE2 -0.03 0.02 -0.05 -0.04 2.99 2.89 2d7fL1 LYS 116 HE3 -0.04 -0.01 -0.08 -0.04 2.99 2.82 2d7fL1 SER 117 H -0.01 0.15 -0.20 -0.55 8.46 7.85 2d7fL1 SER 117 HA -0.01 0.11 0.89 -0.75 4.49 4.72 2d7fL1 SER 117 HB2 0.01 0.14 0.10 -0.04 3.95 4.15 2d7fL1 SER 117 HB3 0.00 0.14 -0.04 -0.04 3.93 3.99 2d7fL1 ASN 118 H -0.00 0.36 0.23 -0.55 8.53 8.58 2d7fL1 ASN 118 HA -0.02 0.13 0.65 -0.75 4.76 4.76 2d7fL1 ASN 118 HB2 -0.01 0.03 0.08 -0.04 2.88 2.94 2d7fL1 ASN 118 HB3 -0.01 0.05 0.13 -0.04 2.79 2.92 2d7fL1 ASN 118 HD21 0.01 0.02 0.06 -0.04 7.03 7.09 2d7fL1 ASN 118 HD22 0.01 0.03 -0.06 -0.04 7.74 7.67 2d7fL1 SER 119 H -0.00 0.01 -0.12 -0.55 8.46 7.81 2d7fL1 SER 119 HA 0.00 0.15 0.31 -0.75 4.49 4.20 2d7fL1 SER 119 HB2 0.01 -0.05 0.04 -0.04 3.95 3.92 2d7fL1 SER 119 HB3 0.02 0.10 0.15 -0.04 3.93 4.16 2d7fL1 THR 120 H -0.04 0.14 -0.68 -0.55 8.28 7.15 2d7fL1 THR 120 HA -0.16 -0.05 0.34 -0.75 4.39 3.77 2d7fL1 THR 120 HB 0.01 0.14 0.05 -0.04 4.32 4.48 2d7fL1 THR 120 HG23 -0.17 -0.01 -0.05 -0.04 1.22 0.95 2d7fL1 HIS 121 H -0.26 0.10 0.10 -0.55 8.41 7.80 2d7fL1 HIS 121 HA -0.01 -0.02 0.31 -0.75 4.63 4.16 2d7fL1 HIS 121 HB2 -0.00 0.22 0.20 -0.04 3.26 3.64 2d7fL1 HIS 121 HB3 -0.00 0.00 0.20 -0.04 3.20 3.36 2d7fL1 HIS 121 HD2 -0.01 -0.00 0.04 -0.04 6.97 6.95 2d7fL1 HIS 121 HE1 -0.01 0.01 -0.03 -0.04 7.75 7.68 2d7fL1 GLU 122 H 0.01 -0.04 -0.45 -0.55 8.60 7.58 2d7fL1 GLU 122 HA 0.04 0.32 0.61 -0.75 4.29 4.51 2d7fL1 GLU 122 HB2 0.02 -0.24 -0.08 -0.04 2.09 1.74 2d7fL1 GLU 122 HB3 0.03 0.03 0.08 -0.04 1.99 2.09 2d7fL1 GLU 122 HG2 0.05 0.18 -0.46 -0.04 2.34 2.07 2d7fL1 GLU 122 HG3 0.02 -0.06 -0.24 -0.04 2.34 2.02 2d7fL1 THR 123 H 0.02 -0.04 -0.32 -0.55 8.28 7.39 2d7fL1 THR 123 HA 0.00 0.22 0.81 -0.75 4.39 4.67 2d7fL1 THR 123 HB 0.02 0.05 -0.03 -0.04 4.32 4.32 2d7fL1 THR 123 HG23 -0.01 -0.01 -0.23 -0.04 1.22 0.93 2d7fL1 ASN 124 H 0.00 0.59 0.48 -0.55 8.53 9.05 2d7fL1 ASN 124 HA 0.04 0.16 0.71 -0.75 4.76 4.91 2d7fL1 ASN 124 HB2 0.00 -0.03 0.19 -0.04 2.88 3.00 2d7fL1 ASN 124 HB3 0.06 0.01 0.08 -0.04 2.79 2.90 2d7fL1 ASN 124 HD21 0.11 -0.01 0.01 -0.04 7.03 7.09 2d7fL1 ASN 124 HD22 0.13 -0.03 0.02 -0.04 7.74 7.82 2d7fL1 ALA 125 H 0.05 0.29 0.18 -0.55 8.40 8.38 2d7fL1 ALA 125 HA 0.01 0.31 0.90 -0.75 4.34 4.80 2d7fL1 ALA 125 HB3 -0.00 -0.00 -0.09 -0.04 1.41 1.28 2d7fL1 LEU 126 H 0.02 0.60 0.36 -0.55 8.37 8.81 2d7fL1 LEU 126 HA 0.09 0.11 0.65 -0.75 4.35 4.44 2d7fL1 LEU 126 HB2 0.18 0.06 0.06 -0.04 1.64 1.90 2d7fL1 LEU 126 HB3 0.18 -0.05 0.12 -0.04 1.64 1.85 2d7fL1 LEU 126 HG 0.14 -0.04 -0.34 -0.04 1.64 1.36 2d7fL1 LEU 126 HD13 0.20 -0.01 0.02 -0.04 0.93 1.10 2d7fL1 LEU 126 HD23 0.37 0.01 -0.11 -0.04 0.89 1.12 2d7fL1 HIS 127 H 0.07 0.27 0.17 -0.55 8.41 8.38 2d7fL1 HIS 127 HA -0.30 0.37 0.87 -0.75 4.63 4.82 2d7fL1 HIS 127 HB2 -0.16 0.00 0.07 -0.04 3.26 3.13 2d7fL1 HIS 127 HB3 -0.10 -0.04 0.12 -0.04 3.20 3.13 2d7fL1 HIS 127 HD2 -0.11 -0.03 -0.13 -0.04 6.97 6.65 2d7fL1 HIS 127 HE1 -0.17 -0.05 -0.10 -0.04 7.75 7.38 2d7fL1 PHE 128 H -1.10 0.48 0.32 -0.55 8.34 7.49 2d7fL1 PHE 128 HA -0.60 0.15 0.54 -0.75 4.62 3.96 2d7fL1 PHE 128 HB2 -0.98 0.01 0.06 -0.04 3.15 2.20 2d7fL1 PHE 128 HB3 -0.85 0.03 0.11 -0.04 3.06 2.32 2d7fL1 PHE 128 HD2 -1.14 0.01 -0.25 -0.04 7.28 5.86 2d7fL1 PHE 128 HE2 -1.45 0.02 -0.16 -0.04 7.38 5.75 2d7fL1 PHE 128 HZ -0.98 0.02 -0.12 -0.04 7.32 6.21 2d7fL1 MET 129 H -0.44 0.25 0.18 -0.55 8.47 7.90 2d7fL1 MET 129 HA -0.33 0.23 0.95 -0.75 4.52 4.61 2d7fL1 MET 129 HB2 -0.15 0.02 -0.02 -0.04 2.15 1.96 2d7fL1 MET 129 HB3 -0.12 -0.03 0.10 -0.04 2.03 1.95 2d7fL1 MET 129 HG2 -0.04 -0.06 -0.38 -0.04 2.63 2.11 2d7fL1 MET 129 HG3 -0.01 0.03 -0.09 -0.04 2.56 2.45 2d7fL1 MET 129 HE3 0.08 0.00 -0.06 -0.04 2.10 2.08 2d7fL1 PHE 130 H -0.02 0.99 0.35 -0.55 8.34 9.11 2d7fL1 PHE 130 HA -0.16 0.11 0.97 -0.75 4.62 4.78 2d7fL1 PHE 130 HB2 -0.15 -0.05 0.17 -0.04 3.15 3.07 2d7fL1 PHE 130 HB3 -1.00 0.09 -0.09 -0.04 3.06 2.01 2d7fL1 PHE 130 HD2 0.08 0.06 0.00 -0.04 7.28 7.38 2d7fL1 PHE 130 HE2 -0.30 -0.03 -0.09 -0.04 7.38 6.92 2d7fL1 PHE 130 HZ 0.09 0.02 -0.11 -0.04 7.32 7.29 2d7fL1 ASN 131 H -0.02 0.10 0.16 -0.55 8.53 8.23 2d7fL1 ASN 131 HA 0.07 0.20 1.00 -0.75 4.76 5.28 2d7fL1 ASN 131 HB2 0.02 -0.04 0.08 -0.04 2.88 2.90 2d7fL1 ASN 131 HB3 0.04 0.04 0.10 -0.04 2.79 2.93 2d7fL1 ASN 131 HD21 0.04 -0.01 -0.09 -0.04 7.03 6.93 2d7fL1 ASN 131 HD22 0.02 -0.00 -0.07 -0.04 7.74 7.65 2d7fL1 GLN 132 H -0.07 0.01 0.20 -0.55 8.47 8.06 2d7fL1 GLN 132 HA 0.04 0.49 0.75 -0.75 4.36 4.89 2d7fL1 GLN 132 HB2 0.03 -0.02 -0.06 -0.04 2.15 2.05 2d7fL1 GLN 132 HB3 0.02 -0.10 -0.00 -0.04 2.02 1.90 2d7fL1 GLN 132 HG2 0.08 0.01 -0.02 -0.04 2.40 2.42 2d7fL1 GLN 132 HG3 0.08 0.18 0.23 -0.04 2.39 2.84 2d7fL1 GLN 132 HE21 0.04 -0.04 -0.02 -0.04 6.97 6.92 2d7fL1 GLN 132 HE22 0.06 -0.00 -0.02 -0.04 7.69 7.69 2d7fL1 PHE 133 H 0.22 0.63 -0.01 -0.55 8.34 8.62 2d7fL1 PHE 133 HA 0.02 0.06 0.68 -0.75 4.62 4.62 2d7fL1 PHE 133 HB2 0.03 -0.01 -0.52 -0.04 3.15 2.61 2d7fL1 PHE 133 HB3 -0.02 0.02 -0.19 -0.04 3.06 2.83 2d7fL1 PHE 133 HD2 -0.07 0.11 -0.13 -0.04 7.28 7.15 2d7fL1 PHE 133 HE2 -0.03 -0.02 -0.43 -0.04 7.38 6.86 2d7fL1 PHE 133 HZ 0.43 -0.03 -0.25 -0.04 7.32 7.42 2d7fL1 SER 134 H 0.11 0.13 0.02 -0.55 8.46 8.17 2d7fL1 SER 134 HA 0.08 0.17 0.75 -0.75 4.49 4.73 2d7fL1 SER 134 HB2 0.04 -0.07 0.01 -0.04 3.95 3.89 2d7fL1 SER 134 HB3 0.05 0.06 0.00 -0.04 3.93 4.00 2d7fL1 LYS 135 H 0.04 0.17 0.08 -0.55 8.42 8.15 2d7fL1 LYS 135 HA 0.03 0.24 0.31 -0.75 4.32 4.15 2d7fL1 LYS 135 HB2 0.02 -0.04 0.13 -0.04 1.87 1.94 2d7fL1 LYS 135 HB3 0.02 0.04 -0.07 -0.04 1.79 1.73 2d7fL1 LYS 135 HG2 0.02 0.12 0.11 -0.04 1.46 1.67 2d7fL1 LYS 135 HG3 0.02 -0.04 0.06 -0.04 1.46 1.46 2d7fL1 LYS 135 HD2 0.01 0.00 0.01 -0.04 1.69 1.68 2d7fL1 LYS 135 HD3 0.02 -0.02 0.02 -0.04 1.68 1.66 2d7fL1 LYS 135 HE2 0.01 0.01 -0.03 -0.04 2.99 2.94 2d7fL1 LYS 135 HE3 0.01 0.02 0.01 -0.04 2.99 2.98 2d7fL1 ASP 136 H 0.02 0.09 -0.38 -0.55 8.40 7.59 2d7fL1 ASP 136 HA 0.00 0.19 0.72 -0.75 4.63 4.78 2d7fL1 ASP 136 HB2 0.00 0.08 -0.13 -0.04 2.71 2.62 2d7fL1 ASP 136 HB3 0.00 -0.05 0.09 -0.04 2.70 2.70 2d7fL1 GLN 137 H 0.01 0.35 -0.12 -0.55 8.47 8.16 2d7fL1 GLN 137 HA 0.03 0.05 0.62 -0.75 4.36 4.30 2d7fL1 GLN 137 HB2 0.06 0.10 -0.03 -0.04 2.15 2.24 2d7fL1 GLN 137 HB3 0.02 0.09 0.15 -0.04 2.02 2.24 2d7fL1 GLN 137 HG2 0.06 0.06 -0.01 -0.04 2.40 2.47 2d7fL1 GLN 137 HG3 -0.04 -0.06 -0.06 -0.04 2.39 2.19 2d7fL1 GLN 137 HE21 0.19 0.06 0.05 -0.04 6.97 7.23 2d7fL1 GLN 137 HE22 0.13 -0.11 -0.04 -0.04 7.69 7.63 2d7fL1 LYS 138 H -0.02 0.22 0.11 -0.55 8.42 8.17 2d7fL1 LYS 138 HA -0.08 0.19 0.19 -0.75 4.32 3.85 2d7fL1 LYS 138 HB2 -0.10 -0.01 0.07 -0.04 1.87 1.78 2d7fL1 LYS 138 HB3 -0.17 0.05 0.09 -0.04 1.79 1.72 2d7fL1 LYS 138 HG2 -0.05 0.00 -0.11 -0.04 1.46 1.25 2d7fL1 LYS 138 HG3 -0.04 0.07 -0.06 -0.04 1.46 1.38 2d7fL1 LYS 138 HD2 -0.07 -0.00 0.01 -0.04 1.69 1.58 2d7fL1 LYS 138 HD3 -0.08 0.02 0.00 -0.04 1.68 1.59 2d7fL1 LYS 138 HE2 -0.03 0.01 -0.00 -0.04 2.99 2.94 2d7fL1 LYS 138 HE3 -0.03 -0.00 0.00 -0.04 2.99 2.92 2d7fL1 ASP 139 H -0.03 0.00 -0.22 -0.55 8.40 7.60 2d7fL1 ASP 139 HA -0.29 0.18 0.76 -0.75 4.63 4.52 2d7fL1 ASP 139 HB2 -0.11 -0.04 0.20 -0.04 2.71 2.72 2d7fL1 ASP 139 HB3 -0.04 0.02 0.09 -0.04 2.70 2.73 2d7fL1 LEU 140 H -0.04 0.43 -0.32 -0.55 8.37 7.90 2d7fL1 LEU 140 HA 0.02 0.27 0.97 -0.75 4.35 4.85 2d7fL1 LEU 140 HB2 -0.02 0.09 0.06 -0.04 1.64 1.73 2d7fL1 LEU 140 HB3 0.01 0.01 -0.20 -0.04 1.64 1.42 2d7fL1 LEU 140 HG -0.24 -0.13 -0.28 -0.04 1.64 0.95 2d7fL1 LEU 140 HD13 0.00 -0.01 -0.14 -0.04 0.93 0.74 2d7fL1 LEU 140 HD23 0.18 0.03 -0.22 -0.04 0.89 0.84 2d7fL1 ILE 141 H 0.03 0.86 0.20 -0.55 8.25 8.79 2d7fL1 ILE 141 HA 0.04 0.11 0.84 -0.75 4.18 4.42 2d7fL1 ILE 141 HB -0.00 -0.04 0.15 -0.04 1.89 1.95 2d7fL1 ILE 141 HG12 0.03 -0.01 -0.04 -0.04 1.49 1.43 2d7fL1 ILE 141 HG13 0.02 -0.05 -0.20 -0.04 1.21 0.95 2d7fL1 ILE 141 HG23 -0.01 0.00 -0.16 -0.04 0.93 0.72 2d7fL1 ILE 141 HD13 -0.23 0.02 -0.06 -0.04 0.88 0.58 2d7fL1 LEU 142 H 0.00 0.19 0.03 -0.55 8.37 8.05 2d7fL1 LEU 142 HA -0.02 0.20 0.99 -0.75 4.35 4.76 2d7fL1 LEU 142 HB2 -0.02 -0.04 0.12 -0.04 1.64 1.66 2d7fL1 LEU 142 HB3 -0.03 0.23 -0.05 -0.04 1.64 1.74 2d7fL1 LEU 142 HG -0.01 0.01 -0.07 -0.04 1.64 1.53 2d7fL1 LEU 142 HD13 -0.03 0.01 -0.17 -0.04 0.93 0.70 2d7fL1 LEU 142 HD23 -0.05 -0.02 -0.26 -0.04 0.89 0.53 2d7fL1 GLN 143 H -0.03 0.80 0.37 -0.55 8.47 9.06 2d7fL1 GLN 143 HA -0.03 0.16 0.95 -0.75 4.36 4.70 2d7fL1 GLN 143 HB2 -0.03 -0.05 0.07 -0.04 2.15 2.10 2d7fL1 GLN 143 HB3 -0.04 -0.08 0.06 -0.04 2.02 1.92 2d7fL1 GLN 143 HG2 -0.02 0.06 -0.16 -0.04 2.40 2.23 2d7fL1 GLN 143 HG3 -0.00 0.04 -0.40 -0.04 2.39 1.99 2d7fL1 GLN 143 HE21 -0.01 0.54 0.12 -0.04 6.97 7.58 2d7fL1 GLN 143 HE22 -0.02 -0.05 -0.06 -0.04 7.69 7.52 2d7fL1 GLY 144 H -0.03 0.14 0.18 -0.55 8.43 8.18 2d7fL1 GLY 144 HA2 -0.03 0.00 0.41 -0.51 4.01 3.88 2d7fL1 GLY 144 HA3 -0.04 0.06 0.43 -0.51 4.01 3.95 2d7fL1 ASP 145 H -0.04 0.81 0.66 -0.55 8.40 9.28 2d7fL1 ASP 145 HA -0.03 0.10 0.57 -0.75 4.63 4.52 2d7fL1 ASP 145 HB2 -0.03 0.08 0.01 -0.04 2.71 2.72 2d7fL1 ASP 145 HB3 -0.03 -0.11 0.05 -0.04 2.70 2.57 2d7fL1 ALA 146 H -0.05 0.26 -0.18 -0.55 8.40 7.89 2d7fL1 ALA 146 HA -0.06 0.27 0.43 -0.75 4.34 4.22 2d7fL1 ALA 146 HB3 -0.08 -0.07 -0.01 -0.04 1.41 1.22 2d7fL1 THR 147 H -0.07 0.58 0.28 -0.55 8.28 8.53 2d7fL1 THR 147 HA -0.04 0.14 0.76 -0.75 4.39 4.50 2d7fL1 THR 147 HB -0.02 0.05 0.04 -0.04 4.32 4.35 2d7fL1 THR 147 HG23 -0.02 0.04 -0.16 -0.04 1.22 1.04 2d7fL1 THR 148 H -0.02 0.21 0.15 -0.55 8.28 8.07 2d7fL1 THR 148 HA -0.05 0.32 1.01 -0.75 4.39 4.91 2d7fL1 THR 148 HB 0.11 -0.08 -0.15 -0.04 4.32 4.16 2d7fL1 THR 148 HG23 -0.08 -0.02 -0.18 -0.04 1.22 0.89 2d7fL1 GLY 149 H 0.08 0.44 -0.11 -0.55 8.43 8.30 2d7fL1 GLY 149 HA2 0.08 0.02 0.05 -0.51 4.01 3.65 2d7fL1 GLY 149 HA3 0.04 0.12 0.33 -0.51 4.01 3.99 2d7fL1 THR 150 H 0.03 0.26 -0.19 -0.55 8.28 7.83 2d7fL1 THR 150 HA 0.03 0.08 0.81 -0.75 4.39 4.56 2d7fL1 THR 150 HB 0.02 0.02 0.08 -0.04 4.32 4.41 2d7fL1 THR 150 HG23 0.01 0.02 -0.02 -0.04 1.22 1.20 2d7fL1 ASP 151 H 0.04 0.19 0.23 -0.55 8.40 8.31 2d7fL1 ASP 151 HA 0.05 0.03 0.33 -0.75 4.63 4.28 2d7fL1 ASP 151 HB2 0.06 0.23 0.07 -0.04 2.71 3.02 2d7fL1 ASP 151 HB3 0.06 0.03 0.17 -0.04 2.70 2.92 2d7fL1 GLY 152 H 0.08 0.25 -0.56 -0.55 8.43 7.65 2d7fL1 GLY 152 HA2 0.12 0.26 0.36 -0.51 4.01 4.24 2d7fL1 GLY 152 HA3 0.11 0.06 0.47 -0.51 4.01 4.14 2d7fL1 ASN 153 H 0.12 0.08 -0.40 -0.55 8.53 7.79 2d7fL1 ASN 153 HA 0.33 0.26 0.70 -0.75 4.76 5.30 2d7fL1 ASN 153 HB2 0.06 0.11 -0.10 -0.04 2.88 2.91 2d7fL1 ASN 153 HB3 0.06 -0.00 -0.12 -0.04 2.79 2.69 2d7fL1 ASN 153 HD21 0.08 -0.01 -0.08 -0.04 7.03 6.97 2d7fL1 ASN 153 HD22 0.07 -0.04 -0.11 -0.04 7.74 7.62 2d7fL1 LEU 154 H -0.23 0.82 0.28 -0.55 8.37 8.69 2d7fL1 LEU 154 HA -0.29 0.27 0.92 -0.75 4.35 4.50 2d7fL1 LEU 154 HB2 -1.39 -0.03 -0.07 -0.04 1.64 0.12 2d7fL1 LEU 154 HB3 -1.07 0.03 0.12 -0.04 1.64 0.68 2d7fL1 LEU 154 HG -0.33 -0.07 -0.26 -0.04 1.64 0.94 2d7fL1 LEU 154 HD13 -0.24 0.05 -0.31 -0.04 0.93 0.39 2d7fL1 LEU 154 HD23 -0.40 -0.01 -0.11 -0.04 0.89 0.32 2d7fL1 GLU 155 H -0.10 0.61 0.14 -0.55 8.60 8.70 2d7fL1 GLU 155 HA -0.05 0.03 0.70 -0.75 4.29 4.22 2d7fL1 GLU 155 HB2 -0.04 0.01 0.18 -0.04 2.09 2.20 2d7fL1 GLU 155 HB3 -0.02 0.19 0.01 -0.04 1.99 2.12 2d7fL1 GLU 155 HG2 -0.02 -0.01 -0.16 -0.04 2.34 2.12 2d7fL1 GLU 155 HG3 -0.01 -0.00 -0.05 -0.04 2.34 2.24 2d7fL1 LEU 156 H -0.08 0.55 0.11 -0.55 8.37 8.39 2d7fL1 LEU 156 HA -0.10 0.01 0.30 -0.75 4.35 3.81 2d7fL1 LEU 156 HB2 -0.08 0.06 0.06 -0.04 1.64 1.65 2d7fL1 LEU 156 HB3 -0.10 0.02 -0.11 -0.04 1.64 1.42 2d7fL1 LEU 156 HG -0.17 0.05 -0.08 -0.04 1.64 1.41 2d7fL1 LEU 156 HD13 -0.22 -0.02 -0.25 -0.04 0.93 0.40 2d7fL1 LEU 156 HD23 -0.19 0.00 -0.26 -0.04 0.89 0.40 2d7fL1 THR 157 H -0.03 0.05 -0.23 -0.55 8.28 7.52 2d7fL1 THR 157 HA -0.03 0.14 0.59 -0.75 4.39 4.34 2d7fL1 THR 157 HB -0.01 -0.01 -0.04 -0.04 4.32 4.22 2d7fL1 THR 157 HG23 -0.03 -0.04 -0.56 -0.04 1.22 0.56 2d7fL1 ARG 158 H -0.02 0.04 0.06 -0.55 8.46 8.00 2d7fL1 ARG 158 HA -0.01 0.14 0.26 -0.75 4.34 3.97 2d7fL1 ARG 158 HB2 -0.01 -0.05 0.11 -0.04 1.90 1.90 2d7fL1 ARG 158 HB3 -0.01 0.01 -0.13 -0.04 1.80 1.63 2d7fL1 ARG 158 HG2 -0.02 -0.00 0.06 -0.04 1.67 1.67 2d7fL1 ARG 158 HG3 -0.01 -0.00 0.01 -0.04 1.67 1.63 2d7fL1 ARG 158 HD2 -0.01 -0.04 -0.04 -0.04 3.22 3.09 2d7fL1 ARG 158 HD3 -0.01 0.08 -0.00 -0.04 3.22 3.24 2d7fL1 VAL 159 H -0.01 0.28 0.20 -0.55 8.24 8.17 2d7fL1 VAL 159 HA 0.01 0.19 0.53 -0.75 4.13 4.10 2d7fL1 VAL 159 HB 0.00 -0.01 0.02 -0.04 2.12 2.10 2d7fL1 VAL 159 HG13 0.01 0.06 -0.43 -0.04 0.97 0.57 2d7fL1 VAL 159 HG23 0.01 0.04 -0.24 -0.04 0.95 0.71 2d7fL1 SER 160 H 0.00 0.83 0.16 -0.55 8.46 8.91 2d7fL1 SER 160 HA 0.00 0.12 0.63 -0.75 4.49 4.49 2d7fL1 SER 160 HB2 0.00 -0.03 0.13 -0.04 3.95 4.01 2d7fL1 SER 160 HB3 0.00 0.15 0.10 -0.04 3.93 4.15 2d7fL1 SER 161 H 0.00 0.15 0.13 -0.55 8.46 8.20 2d7fL1 SER 161 HA 0.01 0.13 0.28 -0.75 4.49 4.15 2d7fL1 SER 161 HB2 0.01 0.03 0.01 -0.04 3.95 3.95 2d7fL1 SER 161 HB3 0.01 0.05 0.10 -0.04 3.93 4.04 2d7fL1 ASN 162 H 0.01 0.01 -0.25 -0.55 8.53 7.74 2d7fL1 ASN 162 HA 0.01 0.17 0.57 -0.75 4.76 4.76 2d7fL1 ASN 162 HB2 0.01 0.06 0.11 -0.04 2.88 3.02 2d7fL1 ASN 162 HB3 0.01 -0.02 0.05 -0.04 2.79 2.78 2d7fL1 ASN 162 HD21 0.01 -0.00 -0.14 -0.04 7.03 6.85 2d7fL1 ASN 162 HD22 0.01 0.08 -0.25 -0.04 7.74 7.54 2d7fL1 GLY 163 H 0.01 0.51 -0.45 -0.55 8.43 7.95 2d7fL1 GLY 163 HA2 0.02 0.03 0.19 -0.51 4.01 3.74 2d7fL1 GLY 163 HA3 0.02 0.13 0.60 -0.51 4.01 4.25 2d7fL1 SER 164 H 0.01 -0.03 -0.20 -0.55 8.46 7.69 2d7fL1 SER 164 HA 0.01 0.24 0.50 -0.75 4.49 4.49 2d7fL1 SER 164 HB2 0.01 0.07 -0.11 -0.04 3.95 3.88 2d7fL1 SER 164 HB3 0.01 -0.15 -0.02 -0.04 3.93 3.73 2d7fL1 PRO 165 HA 0.01 0.23 0.65 -0.51 4.44 4.82 2d7fL1 PRO 165 HB2 0.02 0.04 -0.25 -0.04 2.28 2.05 2d7fL1 PRO 165 HB3 0.03 0.02 -0.34 -0.04 2.02 1.68 2d7fL1 PRO 165 HG2 0.02 -0.02 -0.03 -0.04 2.03 1.96 2d7fL1 PRO 165 HG3 0.03 0.05 0.04 -0.04 2.03 2.11 2d7fL1 PRO 165 HD2 0.02 0.04 0.20 -0.04 3.68 3.90 2d7fL1 PRO 165 HD3 0.02 0.30 0.25 -0.04 3.65 4.18 2d7fL1 GLN 166 H 0.00 0.63 0.24 -0.55 8.47 8.80 2d7fL1 GLN 166 HA -0.01 0.10 0.79 -0.75 4.36 4.49 2d7fL1 GLN 166 HB2 -0.01 -0.04 0.02 -0.04 2.15 2.08 2d7fL1 GLN 166 HB3 -0.01 0.04 0.05 -0.04 2.02 2.06 2d7fL1 GLN 166 HG2 -0.00 -0.02 -0.32 -0.04 2.40 2.02 2d7fL1 GLN 166 HG3 -0.01 -0.01 -0.12 -0.04 2.39 2.21 2d7fL1 GLN 166 HE21 -0.01 -0.02 -0.11 -0.04 6.97 6.79 2d7fL1 GLN 166 HE22 -0.01 -0.01 -0.01 -0.04 7.69 7.62 2d7fL1 GLY 167 H -0.02 0.10 0.09 -0.55 8.43 8.06 2d7fL1 GLY 167 HA2 -0.01 0.01 0.59 -0.51 4.01 4.09 2d7fL1 GLY 167 HA3 -0.03 0.17 0.26 -0.51 4.01 3.91 2d7fL1 SER 168 H -0.02 0.28 -0.09 -0.55 8.46 8.07 2d7fL1 SER 168 HA -0.02 0.05 0.21 -0.75 4.49 3.98 2d7fL1 SER 168 HB2 -0.02 0.10 -0.10 -0.04 3.95 3.89 2d7fL1 SER 168 HB3 -0.02 -0.02 0.14 -0.04 3.93 3.98 2d7fL1 SER 169 H -0.01 0.00 -0.21 -0.55 8.46 7.69 2d7fL1 SER 169 HA -0.02 0.18 0.79 -0.75 4.49 4.69 2d7fL1 SER 169 HB2 -0.01 0.16 -0.13 -0.04 3.95 3.92 2d7fL1 SER 169 HB3 -0.01 0.02 0.05 -0.04 3.93 3.94 2d7fL1 VAL 170 H -0.03 0.29 0.29 -0.55 8.24 8.23 2d7fL1 VAL 170 HA -0.04 0.23 0.64 -0.75 4.13 4.20 2d7fL1 VAL 170 HB -0.06 0.04 -0.27 -0.04 2.12 1.78 2d7fL1 VAL 170 HG13 -0.06 0.02 -0.08 -0.04 0.97 0.80 2d7fL1 VAL 170 HG23 -0.04 -0.02 -0.06 -0.04 0.95 0.78 2d7fL1 GLY 171 H -0.07 0.59 0.31 -0.55 8.43 8.71 2d7fL1 GLY 171 HA2 -0.06 0.05 0.68 -0.51 4.01 4.17 2d7fL1 GLY 171 HA3 -0.06 0.31 0.59 -0.51 4.01 4.33 2d7fL1 ARG 172 H -0.06 0.55 0.43 -0.55 8.46 8.83 2d7fL1 ARG 172 HA -0.07 0.24 1.09 -0.75 4.34 4.84 2d7fL1 ARG 172 HB2 -0.00 -0.11 -0.06 -0.04 1.90 1.68 2d7fL1 ARG 172 HB3 0.11 0.13 0.08 -0.04 1.80 2.07 2d7fL1 ARG 172 HG2 -0.19 0.04 -0.05 -0.04 1.67 1.43 2d7fL1 ARG 172 HG3 -0.12 -0.17 -0.43 -0.04 1.67 0.90 2d7fL1 ARG 172 HD2 -0.10 -0.15 -0.19 -0.04 3.22 2.74 2d7fL1 ARG 172 HD3 0.01 0.02 -0.22 -0.04 3.22 2.99 2d7fL1 ALA 173 H -0.06 0.72 0.38 -0.55 8.40 8.90 2d7fL1 ALA 173 HA -0.00 0.35 1.00 -0.75 4.34 4.93 2d7fL1 ALA 173 HB3 -0.09 -0.03 -0.07 -0.04 1.41 1.18 2d7fL1 LEU 174 H 0.06 0.66 0.30 -0.55 8.37 8.84 2d7fL1 LEU 174 HA 0.14 0.19 1.13 -0.75 4.35 5.05 2d7fL1 LEU 174 HB2 0.01 -0.05 0.07 -0.04 1.64 1.63 2d7fL1 LEU 174 HB3 -0.00 0.15 -0.02 -0.04 1.64 1.73 2d7fL1 LEU 174 HG 0.02 -0.04 -0.30 -0.04 1.64 1.29 2d7fL1 LEU 174 HD13 0.10 -0.03 -0.26 -0.04 0.93 0.70 2d7fL1 LEU 174 HD23 0.08 0.01 -0.21 -0.04 0.89 0.73 2d7fL1 PHE 175 H 0.34 0.45 0.31 -0.55 8.34 8.88 2d7fL1 PHE 175 HA -0.13 0.10 0.71 -0.75 4.62 4.54 2d7fL1 PHE 175 HB2 -0.80 -0.04 0.11 -0.04 3.15 2.38 2d7fL1 PHE 175 HB3 -0.19 0.03 0.10 -0.04 3.06 2.96 2d7fL1 PHE 175 HD2 -0.27 0.12 -0.02 -0.04 7.28 7.07 2d7fL1 PHE 175 HE2 -0.03 -0.02 0.02 -0.04 7.38 7.32 2d7fL1 PHE 175 HZ -0.02 -0.00 0.05 -0.04 7.32 7.30 2d7fL1 TYR 176 H -0.88 0.53 0.30 -0.55 8.29 7.69 2d7fL1 TYR 176 HA -0.24 0.05 0.19 -0.75 4.56 3.81 2d7fL1 TYR 176 HB2 -0.38 -0.03 -0.11 -0.04 3.06 2.50 2d7fL1 TYR 176 HB3 -0.55 -0.13 0.15 -0.04 2.98 2.40 2d7fL1 TYR 176 HD2 -0.16 -0.02 -0.21 -0.04 7.15 6.72 2d7fL1 TYR 176 HE2 -0.08 -0.03 -0.03 -0.04 6.85 6.67 2d7fL1 ALA 177 H -0.79 -0.03 -0.01 -0.55 8.40 7.03 2d7fL1 ALA 177 HA -0.03 0.08 0.55 -0.75 4.34 4.19 2d7fL1 ALA 177 HB3 0.27 -0.01 0.07 -0.04 1.41 1.71 2d7fL1 PRO 178 HA 0.13 0.27 0.77 -0.51 4.44 5.10 2d7fL1 PRO 178 HB2 0.05 -0.08 -0.02 -0.04 2.28 2.19 2d7fL1 PRO 178 HB3 0.11 -0.01 0.06 -0.04 2.02 2.13 2d7fL1 PRO 178 HG2 -0.19 -0.04 0.08 -0.04 2.03 1.83 2d7fL1 PRO 178 HG3 -0.10 0.07 0.09 -0.04 2.03 2.04 2d7fL1 PRO 178 HD2 -0.05 -0.02 0.26 -0.04 3.68 3.82 2d7fL1 PRO 178 HD3 -0.16 0.33 0.27 -0.04 3.65 4.06 2d7fL1 VAL 179 H 0.25 0.74 0.33 -0.55 8.24 9.00 2d7fL1 VAL 179 HA 0.30 0.13 0.82 -0.75 4.13 4.63 2d7fL1 VAL 179 HB 0.12 -0.02 -0.05 -0.04 2.12 2.12 2d7fL1 VAL 179 HG13 0.28 -0.01 -0.31 -0.04 0.97 0.89 2d7fL1 VAL 179 HG23 0.18 0.03 -0.16 -0.04 0.95 0.96 2d7fL1 HIS 180 H -0.07 0.17 0.02 -0.55 8.41 7.97 2d7fL1 HIS 180 HA -1.31 0.21 0.78 -0.75 4.63 3.56 2d7fL1 HIS 180 HB2 -1.36 -0.02 0.07 -0.04 3.26 1.92 2d7fL1 HIS 180 HB3 -0.49 -0.04 0.12 -0.04 3.20 2.75 2d7fL1 HIS 180 HD2 -1.18 0.30 0.07 -0.04 6.97 6.12 2d7fL1 HIS 180 HE1 -0.06 -0.06 -0.01 -0.04 7.75 7.57 2d7fL1 ILE 181 H -0.24 0.61 0.30 -0.55 8.25 8.36 2d7fL1 ILE 181 HA 0.09 0.06 0.25 -0.75 4.18 3.83 2d7fL1 ILE 181 HB 0.03 0.02 -0.11 -0.04 1.89 1.79 2d7fL1 ILE 181 HG12 0.09 -0.02 -0.15 -0.04 1.49 1.38 2d7fL1 ILE 181 HG13 0.32 -0.04 -0.05 -0.04 1.21 1.40 2d7fL1 ILE 181 HG23 0.13 0.02 -0.21 -0.04 0.93 0.84 2d7fL1 ILE 181 HD13 0.03 -0.01 -0.15 -0.04 0.88 0.71 2d7fL1 TRP 182 H -0.32 0.37 0.14 -0.55 7.97 7.61 2d7fL1 TRP 182 HA -0.07 0.11 0.40 -0.75 4.62 4.30 2d7fL1 TRP 182 HB2 0.01 -0.06 0.09 -0.04 3.23 3.22 2d7fL1 TRP 182 HB3 0.06 0.05 -0.10 -0.04 3.23 3.20 2d7fL1 TRP 182 HD1 0.05 -0.03 -0.37 -0.04 7.22 6.83 2d7fL1 TRP 182 HE1 0.05 0.68 -0.43 -0.04 10.20 10.46 2d7fL1 TRP 182 HE3 -0.00 -0.12 -0.34 -0.04 7.59 7.09 2d7fL1 TRP 182 HZ2 0.05 0.09 0.00 -0.04 7.44 7.55 2d7fL1 TRP 182 HZ3 0.04 -0.11 -0.04 -0.04 7.13 6.97 2d7fL1 TRP 182 HH2 0.05 -0.01 -0.01 -0.04 7.19 7.18 2d7fL1 GLU 183 H 0.32 0.34 0.11 -0.55 8.60 8.82 2d7fL1 GLU 183 HA 0.05 0.11 0.35 -0.75 4.29 4.04 2d7fL1 GLU 183 HB2 -0.62 0.18 -0.12 -0.04 2.09 1.49 2d7fL1 GLU 183 HB3 -0.11 -0.07 -0.08 -0.04 1.99 1.69 2d7fL1 GLU 183 HG2 0.06 -0.22 -0.03 -0.04 2.34 2.11 2d7fL1 GLU 183 HG3 0.03 0.08 0.10 -0.04 2.34 2.51 2d7fL1 SER 184 H 0.30 0.18 0.11 -0.55 8.46 8.50 2d7fL1 SER 184 HA 0.19 0.12 0.24 -0.75 4.49 4.29 2d7fL1 SER 184 HB2 0.14 -0.02 0.07 -0.04 3.95 4.10 2d7fL1 SER 184 HB3 0.12 0.06 0.06 -0.04 3.93 4.14 2d7fL1 SER 185 H 0.08 0.04 -0.23 -0.55 8.46 7.81 2d7fL1 SER 185 HA 0.04 0.23 0.51 -0.75 4.49 4.52 2d7fL1 SER 185 HB2 0.03 -0.01 0.12 -0.04 3.95 4.06 2d7fL1 SER 185 HB3 0.05 0.01 0.02 -0.04 3.93 3.97 2d7fL1 ALA 186 H 0.06 0.41 -0.52 -0.55 8.40 7.80 2d7fL1 ALA 186 HA 0.00 -0.06 0.55 -0.75 4.34 4.08 2d7fL1 ALA 186 HB3 0.01 0.03 -0.11 -0.04 1.41 1.30 2d7fL1 VAL 187 H -0.01 0.23 0.30 -0.55 8.24 8.21 2d7fL1 VAL 187 HA -0.01 0.10 0.46 -0.75 4.13 3.93 2d7fL1 VAL 187 HB -0.02 0.10 -0.04 -0.04 2.12 2.11 2d7fL1 VAL 187 HG13 -0.03 -0.01 -0.09 -0.04 0.97 0.80 2d7fL1 VAL 187 HG23 -0.01 -0.02 -0.08 -0.04 0.95 0.79 2d7fL1 VAL 188 H -0.02 0.50 0.07 -0.55 8.24 8.25 2d7fL1 VAL 188 HA -0.04 0.12 0.78 -0.75 4.13 4.24 2d7fL1 VAL 188 HB -0.04 -0.08 0.10 -0.04 2.12 2.06 2d7fL1 VAL 188 HG13 -0.06 -0.02 -0.11 -0.04 0.97 0.74 2d7fL1 VAL 188 HG23 -0.05 0.01 -0.19 -0.04 0.95 0.69 2d7fL1 ALA 189 H 0.01 0.16 0.14 -0.55 8.40 8.16 2d7fL1 ALA 189 HA 0.04 0.39 0.85 -0.75 4.34 4.87 2d7fL1 ALA 189 HB3 0.15 0.06 0.17 -0.04 1.41 1.75 2d7fL1 SER 190 H 0.05 0.54 0.35 -0.55 8.46 8.85 2d7fL1 SER 190 HA -0.04 0.14 1.15 -0.75 4.49 4.98 2d7fL1 SER 190 HB2 -0.11 0.13 0.22 -0.04 3.95 4.14 2d7fL1 SER 190 HB3 -0.08 -0.15 -0.04 -0.04 3.93 3.61 2d7fL1 PHE 191 H -0.24 0.73 0.49 -0.55 8.34 8.77 2d7fL1 PHE 191 HA -0.18 0.26 0.53 -0.75 4.62 4.48 2d7fL1 PHE 191 HB2 -0.07 0.04 0.17 -0.04 3.15 3.25 2d7fL1 PHE 191 HB3 0.10 0.08 0.19 -0.04 3.06 3.39 2d7fL1 PHE 191 HD2 0.24 0.05 -0.34 -0.04 7.28 7.19 2d7fL1 PHE 191 HE2 0.11 -0.02 -0.19 -0.04 7.38 7.24 2d7fL1 PHE 191 HZ 0.06 -0.00 -0.15 -0.04 7.32 7.18 2d7fL1 ASP 192 H -0.19 0.57 0.44 -0.55 8.40 8.67 2d7fL1 ASP 192 HA 0.09 0.27 0.56 -0.75 4.63 4.80 2d7fL1 ASP 192 HB2 -0.02 -0.03 0.01 -0.04 2.71 2.62 2d7fL1 ASP 192 HB3 -0.02 0.07 0.35 -0.04 2.70 3.06 2d7fL1 ALA 193 H 0.03 0.56 0.42 -0.55 8.40 8.87 2d7fL1 ALA 193 HA 0.09 0.28 1.00 -0.75 4.34 4.95 2d7fL1 ALA 193 HB3 -0.23 -0.00 0.06 -0.04 1.41 1.20 2d7fL1 THR 194 H 0.21 0.61 0.41 -0.55 8.28 8.96 2d7fL1 THR 194 HA -0.06 0.45 1.03 -0.75 4.39 5.07 2d7fL1 THR 194 HB 0.13 -0.10 0.09 -0.04 4.32 4.41 2d7fL1 THR 194 HG23 -0.16 0.00 -0.09 -0.04 1.22 0.93 2d7fL1 PHE 195 H -0.26 0.57 0.41 -0.55 8.34 8.50 2d7fL1 PHE 195 HA 0.26 0.14 0.54 -0.75 4.62 4.81 2d7fL1 PHE 195 HB2 0.14 0.15 0.30 -0.04 3.15 3.70 2d7fL1 PHE 195 HB3 0.17 -0.01 0.12 -0.04 3.06 3.30 2d7fL1 PHE 195 HD2 0.10 0.04 -0.25 -0.04 7.28 7.12 2d7fL1 PHE 195 HE2 -0.17 -0.02 -0.14 -0.04 7.38 7.01 2d7fL1 PHE 195 HZ -0.24 0.01 -0.18 -0.04 7.32 6.86 2d7fL1 THR 196 H 0.33 0.43 0.35 -0.55 8.28 8.84 2d7fL1 THR 196 HA 0.03 0.31 1.28 -0.75 4.39 5.26 2d7fL1 THR 196 HB -0.03 0.14 0.14 -0.04 4.32 4.52 2d7fL1 THR 196 HG23 0.03 -0.02 -0.09 -0.04 1.22 1.10 2d7fL1 PHE 197 H -0.32 0.73 0.44 -0.55 8.34 8.64 2d7fL1 PHE 197 HA 0.15 0.32 1.00 -0.75 4.62 5.34 2d7fL1 PHE 197 HB2 0.19 -0.01 -0.08 -0.04 3.15 3.22 2d7fL1 PHE 197 HB3 0.35 -0.00 -0.28 -0.04 3.06 3.08 2d7fL1 PHE 197 HD2 0.08 -0.02 -0.26 -0.04 7.28 7.04 2d7fL1 PHE 197 HE2 0.12 -0.01 -0.29 -0.04 7.38 7.17 2d7fL1 PHE 197 HZ 0.02 0.03 -0.13 -0.04 7.32 7.20 2d7fL1 LEU 198 H 0.25 0.56 0.13 -0.55 8.37 8.76 2d7fL1 LEU 198 HA 0.09 0.37 0.72 -0.75 4.35 4.78 2d7fL1 LEU 198 HB2 0.06 0.04 -0.12 -0.04 1.64 1.57 2d7fL1 LEU 198 HB3 0.10 -0.05 0.06 -0.04 1.64 1.71 2d7fL1 LEU 198 HG 0.07 -0.08 -0.11 -0.04 1.64 1.48 2d7fL1 LEU 198 HD13 0.07 0.02 -0.50 -0.04 0.93 0.48 2d7fL1 LEU 198 HD23 0.05 0.00 -0.10 -0.04 0.89 0.80 2d7fL1 ILE 199 H 0.34 0.28 0.01 -0.55 8.25 8.33 2d7fL1 ILE 199 HA 0.18 0.43 0.86 -0.75 4.18 4.89 2d7fL1 ILE 199 HB 0.37 -0.01 0.09 -0.04 1.89 2.30 2d7fL1 ILE 199 HG12 0.23 0.12 -0.01 -0.04 1.49 1.79 2d7fL1 ILE 199 HG13 0.53 -0.11 -0.19 -0.04 1.21 1.40 2d7fL1 ILE 199 HG23 0.13 -0.00 -0.16 -0.04 0.93 0.85 2d7fL1 ILE 199 HD13 0.39 -0.01 -0.10 -0.04 0.88 1.12 2d7fL1 LYS 200 H 0.09 0.26 0.19 -0.55 8.42 8.41 2d7fL1 LYS 200 HA 0.03 0.07 0.91 -0.75 4.32 4.59 2d7fL1 LYS 200 HB2 0.05 0.00 -0.05 -0.04 1.87 1.83 2d7fL1 LYS 200 HB3 0.04 0.02 0.09 -0.04 1.79 1.90 2d7fL1 LYS 200 HG2 0.02 0.05 -0.13 -0.04 1.46 1.36 2d7fL1 LYS 200 HG3 0.01 -0.00 0.04 -0.04 1.46 1.47 2d7fL1 LYS 200 HD2 0.02 0.02 0.01 -0.04 1.69 1.70 2d7fL1 LYS 200 HD3 0.03 0.01 -0.03 -0.04 1.68 1.64 2d7fL1 LYS 200 HE2 0.01 -0.01 -0.05 -0.04 2.99 2.91 2d7fL1 LYS 200 HE3 0.01 0.03 -0.06 -0.04 2.99 2.93 2d7fL1 SER 201 H 0.01 0.28 0.15 -0.55 8.46 8.36 2d7fL1 SER 201 HA 0.04 0.16 0.91 -0.75 4.49 4.84 2d7fL1 SER 201 HB2 0.05 -0.04 0.13 -0.04 3.95 4.04 2d7fL1 SER 201 HB3 0.01 0.02 0.03 -0.04 3.93 3.95 2d7fL1 PRO 202 HA 0.02 0.17 0.71 -0.51 4.44 4.83 2d7fL1 PRO 202 HB2 0.02 0.01 0.02 -0.04 2.28 2.29 2d7fL1 PRO 202 HB3 0.02 0.02 0.05 -0.04 2.02 2.07 2d7fL1 PRO 202 HG2 0.03 0.02 -0.10 -0.04 2.03 1.93 2d7fL1 PRO 202 HG3 0.02 0.05 0.01 -0.04 2.03 2.07 2d7fL1 PRO 202 HD2 0.04 0.10 0.18 -0.04 3.68 3.96 2d7fL1 PRO 202 HD3 0.03 0.15 0.10 -0.04 3.65 3.88 2d7fL1 ASP 203 H 0.06 0.04 -0.08 -0.55 8.40 7.88 2d7fL1 ASP 203 HA 0.07 0.08 0.53 -0.75 4.63 4.56 2d7fL1 ASP 203 HB2 0.21 0.22 0.02 -0.04 2.71 3.12 2d7fL1 ASP 203 HB3 0.29 -0.12 0.21 -0.04 2.70 3.04 2d7fL1 SER 204 H 0.17 0.09 0.14 -0.55 8.46 8.31 2d7fL1 SER 204 HA 0.10 0.08 0.46 -0.75 4.49 4.37 2d7fL1 SER 204 HB2 0.42 -0.06 0.08 -0.04 3.95 4.35 2d7fL1 SER 204 HB3 0.21 0.03 -0.13 -0.04 3.93 4.00 2d7fL1 HIS 205 H 0.30 0.15 -0.19 -0.55 8.41 8.12 2d7fL1 HIS 205 HA -0.01 0.18 0.45 -0.75 4.63 4.50 2d7fL1 HIS 205 HB2 -0.10 -0.04 -0.15 -0.04 3.26 2.93 2d7fL1 HIS 205 HB3 -0.36 -0.09 -0.04 -0.04 3.20 2.67 2d7fL1 HIS 205 HD2 -0.07 -0.02 0.07 -0.04 6.97 6.90 2d7fL1 HIS 205 HE1 -0.08 0.38 0.27 -0.04 7.75 8.28 2d7fL1 PRO 206 HA 0.10 0.26 0.65 -0.51 4.44 4.94 2d7fL1 PRO 206 HB2 0.02 -0.00 -0.28 -0.04 2.28 1.98 2d7fL1 PRO 206 HB3 0.02 -0.02 -0.06 -0.04 2.02 1.92 2d7fL1 PRO 206 HG2 -0.23 0.07 -0.01 -0.04 2.03 1.82 2d7fL1 PRO 206 HG3 -0.13 0.01 -0.02 -0.04 2.03 1.86 2d7fL1 PRO 206 HD2 -0.92 0.17 0.18 -0.04 3.68 3.07 2d7fL1 PRO 206 HD3 -0.28 0.18 0.05 -0.04 3.65 3.56 2d7fL1 ALA 207 H 0.11 0.35 -0.25 -0.55 8.40 8.06 2d7fL1 ALA 207 HA 0.18 0.05 0.16 -0.75 4.34 3.97 2d7fL1 ALA 207 HB3 -0.01 0.02 -0.26 -0.04 1.41 1.11 2d7fL1 ASP 208 H 0.05 0.65 0.18 -0.55 8.40 8.73 2d7fL1 ASP 208 HA 0.14 -0.00 0.27 -0.75 4.63 4.28 2d7fL1 ASP 208 HB2 0.04 0.08 -0.21 -0.04 2.71 2.58 2d7fL1 ASP 208 HB3 0.08 0.11 -0.23 -0.04 2.70 2.61 2d7fL1 GLY 209 H 0.07 0.29 0.21 -0.55 8.43 8.45 2d7fL1 GLY 209 HA2 0.14 0.02 0.36 -0.51 4.01 4.02 2d7fL1 GLY 209 HA3 0.09 0.28 0.99 -0.51 4.01 4.86 2d7fL1 ILE 210 H 0.00 0.54 0.38 -0.55 8.25 8.63 2d7fL1 ILE 210 HA -0.08 0.33 1.04 -0.75 4.18 4.71 2d7fL1 ILE 210 HB -0.12 -0.07 0.05 -0.04 1.89 1.72 2d7fL1 ILE 210 HG12 -0.02 0.06 -0.14 -0.04 1.49 1.36 2d7fL1 ILE 210 HG13 0.03 -0.11 -0.22 -0.04 1.21 0.87 2d7fL1 ILE 210 HG23 -0.31 0.02 -0.09 -0.04 0.93 0.51 2d7fL1 ILE 210 HD13 0.05 -0.00 -0.20 -0.04 0.88 0.69 2d7fL1 ALA 211 H -0.11 0.76 0.39 -0.55 8.40 8.90 2d7fL1 ALA 211 HA 0.03 0.23 0.98 -0.75 4.34 4.82 2d7fL1 ALA 211 HB3 0.00 0.00 -0.11 -0.04 1.41 1.26 2d7fL1 PHE 212 H 0.23 0.41 0.30 -0.55 8.34 8.73 2d7fL1 PHE 212 HA -0.19 0.29 0.99 -0.75 4.62 4.96 2d7fL1 PHE 212 HB2 0.13 -0.01 0.12 -0.04 3.15 3.35 2d7fL1 PHE 212 HB3 0.20 -0.05 0.17 -0.04 3.06 3.34 2d7fL1 PHE 212 HD2 0.14 -0.04 -0.10 -0.04 7.28 7.24 2d7fL1 PHE 212 HE2 0.23 -0.04 -0.15 -0.04 7.38 7.39 2d7fL1 PHE 212 HZ -0.01 -0.02 -0.14 -0.04 7.32 7.11 2d7fL1 PHE 213 H -0.90 0.75 0.31 -0.55 8.34 7.94 2d7fL1 PHE 213 HA -0.36 0.25 1.09 -0.75 4.62 4.85 2d7fL1 PHE 213 HB2 -0.23 0.07 -0.02 -0.04 3.15 2.93 2d7fL1 PHE 213 HB3 -0.23 -0.06 -0.35 -0.04 3.06 2.38 2d7fL1 PHE 213 HD2 -0.24 0.02 -0.48 -0.04 7.28 6.53 2d7fL1 PHE 213 HE2 -0.18 0.07 -0.46 -0.04 7.38 6.76 2d7fL1 PHE 213 HZ -0.13 0.01 -0.32 -0.04 7.32 6.84 2d7fL1 ILE 214 H -0.08 0.75 0.40 -0.55 8.25 8.76 2d7fL1 ILE 214 HA -0.33 0.29 1.05 -0.75 4.18 4.43 2d7fL1 ILE 214 HB -0.06 -0.08 0.09 -0.04 1.89 1.80 2d7fL1 ILE 214 HG12 -0.39 0.07 -0.20 -0.04 1.49 0.93 2d7fL1 ILE 214 HG13 -0.26 -0.04 -0.34 -0.04 1.21 0.53 2d7fL1 ILE 214 HG23 -0.07 0.01 -0.11 -0.04 0.93 0.72 2d7fL1 ILE 214 HD13 -0.29 -0.02 -0.15 -0.04 0.88 0.38 2d7fL1 SER 215 H -0.05 0.69 0.36 -0.55 8.46 8.90 2d7fL1 SER 215 HA 0.06 0.44 1.05 -0.75 4.49 5.28 2d7fL1 SER 215 HB2 0.07 -0.08 0.13 -0.04 3.95 4.02 2d7fL1 SER 215 HB3 0.30 -0.04 -0.23 -0.04 3.93 3.92 2d7fL1 ASN 216 H 0.04 0.20 0.31 -0.55 8.53 8.53 2d7fL1 ASN 216 HA 0.05 0.15 0.75 -0.75 4.76 4.95 2d7fL1 ASN 216 HB2 0.02 -0.07 0.10 -0.04 2.88 2.89 2d7fL1 ASN 216 HB3 0.04 0.09 0.24 -0.04 2.79 3.12 2d7fL1 ASN 216 HD21 -0.01 0.05 -0.11 -0.04 7.03 6.93 2d7fL1 ASN 216 HD22 0.00 -0.08 -0.18 -0.04 7.74 7.44 2d7fL1 ILE 217 H 0.03 0.18 0.15 -0.55 8.25 8.06 2d7fL1 ILE 217 HA 0.00 0.12 0.23 -0.75 4.18 3.78 2d7fL1 ILE 217 HB -0.02 -0.06 0.06 -0.04 1.89 1.82 2d7fL1 ILE 217 HG12 0.04 0.14 -0.23 -0.04 1.49 1.40 2d7fL1 ILE 217 HG13 0.08 0.00 -0.29 -0.04 1.21 0.96 2d7fL1 ILE 217 HG23 -0.08 0.03 -0.17 -0.04 0.93 0.66 2d7fL1 ILE 217 HD13 0.00 -0.02 -0.08 -0.04 0.88 0.74 2d7fL1 ASP 218 H -0.01 -0.01 -0.27 -0.55 8.40 7.56 2d7fL1 ASP 218 HA -0.05 0.21 0.52 -0.75 4.63 4.56 2d7fL1 ASP 218 HB2 -0.03 0.02 0.06 -0.04 2.71 2.72 2d7fL1 ASP 218 HB3 -0.04 -0.02 -0.02 -0.04 2.70 2.58 2d7fL1 SER 219 H 0.00 0.30 -0.61 -0.55 8.46 7.61 2d7fL1 SER 219 HA -0.02 -0.10 0.25 -0.75 4.49 3.86 2d7fL1 SER 219 HB2 0.03 -0.02 0.03 -0.04 3.95 3.95 2d7fL1 SER 219 HB3 0.08 0.03 -0.10 -0.04 3.93 3.89 2d7fL1 SER 220 H -0.05 0.14 0.13 -0.55 8.46 8.13 2d7fL1 SER 220 HA -0.04 0.14 0.63 -0.75 4.49 4.47 2d7fL1 SER 220 HB2 -0.04 -0.06 0.05 -0.04 3.95 3.85 2d7fL1 SER 220 HB3 -0.03 0.11 -0.08 -0.04 3.93 3.88 2d7fL1 ILE 221 H -0.06 0.05 0.03 -0.55 8.25 7.71 2d7fL1 ILE 221 HA -0.15 0.25 0.30 -0.75 4.18 3.83 2d7fL1 ILE 221 HB -0.06 -0.10 0.05 -0.04 1.89 1.74 2d7fL1 ILE 221 HG12 -0.13 0.17 -0.10 -0.04 1.49 1.39 2d7fL1 ILE 221 HG13 -0.08 -0.06 -0.06 -0.04 1.21 0.98 2d7fL1 ILE 221 HG23 -0.08 0.06 -0.24 -0.04 0.93 0.63 2d7fL1 ILE 221 HD13 -0.06 -0.04 -0.24 -0.04 0.88 0.50 2d7fL1 PRO 222 HA -0.05 0.00 0.34 -0.51 4.44 4.23 2d7fL1 PRO 222 HB2 -0.04 0.13 -0.46 -0.04 2.28 1.88 2d7fL1 PRO 222 HB3 -0.03 -0.04 -0.14 -0.04 2.02 1.77 2d7fL1 PRO 222 HG2 -0.12 -0.05 -0.89 -0.04 2.03 0.93 2d7fL1 PRO 222 HG3 -0.11 0.04 -0.19 -0.04 2.03 1.73 2d7fL1 PRO 222 HD2 -0.15 0.01 -0.37 -0.04 3.68 3.13 2d7fL1 PRO 222 HD3 -0.19 0.29 0.02 -0.04 3.65 3.73 2d7fL1 SER 223 H -0.02 0.10 0.09 -0.55 8.46 8.08 2d7fL1 SER 223 HA -0.03 0.02 0.50 -0.75 4.49 4.22 2d7fL1 SER 223 HB2 -0.02 0.02 0.11 -0.04 3.95 4.02 2d7fL1 SER 223 HB3 -0.01 0.02 0.11 -0.04 3.93 4.01 2d7fL1 GLY 224 H -0.02 0.10 0.15 -0.55 8.43 8.11 2d7fL1 GLY 224 HA2 -0.01 -0.06 0.32 -0.51 4.01 3.75 2d7fL1 GLY 224 HA3 -0.01 0.09 0.32 -0.51 4.01 3.90 2d7fL1 SER 225 H -0.03 0.20 -0.23 -0.55 8.46 7.85 2d7fL1 SER 225 HA -0.00 0.24 0.62 -0.75 4.49 4.59 2d7fL1 SER 225 HB2 -0.04 -0.23 -0.12 -0.04 3.95 3.52 2d7fL1 SER 225 HB3 -0.03 0.17 -0.33 -0.04 3.93 3.69 2d7fL1 THR 226 H -0.02 -0.01 -0.36 -0.55 8.28 7.34 2d7fL1 THR 226 HA -0.02 0.15 0.67 -0.75 4.39 4.43 2d7fL1 THR 226 HB -0.02 0.15 0.11 -0.04 4.32 4.51 2d7fL1 THR 226 HG23 -0.03 0.02 -0.20 -0.04 1.22 0.97 2d7fL1 GLY 227 H -0.01 0.66 0.23 -0.55 8.43 8.77 2d7fL1 GLY 227 HA2 -0.01 -0.05 -0.02 -0.51 4.01 3.43 2d7fL1 GLY 227 HA3 -0.01 -0.02 0.27 -0.51 4.01 3.74 2d7fL1 ARG 228 H 0.03 0.12 0.10 -0.55 8.46 8.16 2d7fL1 ARG 228 HA 0.08 0.06 0.18 -0.75 4.34 3.91 2d7fL1 ARG 228 HB2 0.07 0.07 -0.00 -0.04 1.90 2.00 2d7fL1 ARG 228 HB3 0.09 -0.04 0.07 -0.04 1.80 1.89 2d7fL1 ARG 228 HG2 0.04 -0.07 0.03 -0.04 1.67 1.63 2d7fL1 ARG 228 HG3 0.03 0.04 -0.06 -0.04 1.67 1.64 2d7fL1 ARG 228 HD2 0.02 0.04 -0.11 -0.04 3.22 3.13 2d7fL1 ARG 228 HD3 0.03 0.04 -0.16 -0.04 3.22 3.09 2d7fL1 LEU 229 H 0.03 0.33 -0.74 -0.55 8.37 7.45 2d7fL1 LEU 229 HA 0.10 0.17 0.67 -0.75 4.35 4.53 2d7fL1 LEU 229 HB2 0.03 0.09 -0.06 -0.04 1.64 1.66 2d7fL1 LEU 229 HB3 0.07 -0.02 0.07 -0.04 1.64 1.72 2d7fL1 LEU 229 HG 0.03 -0.10 -0.21 -0.04 1.64 1.33 2d7fL1 LEU 229 HD13 0.03 0.07 -0.30 -0.04 0.93 0.70 2d7fL1 LEU 229 HD23 0.06 0.01 -0.36 -0.04 0.89 0.56 2d7fL1 LEU 230 H 0.02 0.43 -0.26 -0.55 8.37 8.01 2d7fL1 LEU 230 HA -0.01 -0.01 0.01 -0.75 4.35 3.58 2d7fL1 LEU 230 HB2 0.05 0.14 -0.58 -0.04 1.64 1.21 2d7fL1 LEU 230 HB3 -0.01 -0.03 -0.17 -0.04 1.64 1.38 2d7fL1 LEU 230 HG 0.07 0.11 -0.47 -0.04 1.64 1.30 2d7fL1 LEU 230 HD13 0.08 -0.01 -0.23 -0.04 0.93 0.73 2d7fL1 LEU 230 HD23 0.04 0.01 -0.37 -0.04 0.89 0.53 2d7fL1 GLY 231 H -0.05 0.56 -0.35 -0.55 8.43 8.05 2d7fL1 GLY 231 HA2 -0.11 -0.04 0.14 -0.51 4.01 3.49 2d7fL1 GLY 231 HA3 -0.15 0.05 0.41 -0.51 4.01 3.80 2d7fL1 LEU 232 H -0.13 0.47 -0.29 -0.55 8.37 7.87 2d7fL1 LEU 232 HA -0.57 0.16 0.50 -0.75 4.35 3.69 2d7fL1 LEU 232 HB2 -0.22 0.17 -0.09 -0.04 1.64 1.46 2d7fL1 LEU 232 HB3 -1.13 -0.10 -0.25 -0.04 1.64 0.12 2d7fL1 LEU 232 HG -0.27 0.24 -0.41 -0.04 1.64 1.16 2d7fL1 LEU 232 HD13 -0.06 -0.03 -0.26 -0.04 0.93 0.54 2d7fL1 LEU 232 HD23 -0.72 -0.00 -0.31 -0.04 0.89 -0.18 2d7fL1 PHE 233 H -0.03 0.21 0.04 -0.55 8.34 8.01 2d7fL1 PHE 233 HA -0.06 0.18 0.67 -0.75 4.62 4.66 2d7fL1 PHE 233 HB2 -0.04 0.03 0.06 -0.04 3.15 3.16 2d7fL1 PHE 233 HB3 -0.03 0.07 0.11 -0.04 3.06 3.16 2d7fL1 PHE 233 HD2 -0.04 0.10 -0.13 -0.04 7.28 7.17 2d7fL1 PHE 233 HE2 -0.02 0.02 -0.35 -0.04 7.38 6.99 2d7fL1 PHE 233 HZ -0.01 -0.02 -0.45 -0.04 7.32 6.81 2d7fL1 PRO 234 HA 0.02 0.19 0.58 -0.51 4.44 4.71 2d7fL1 PRO 234 HB2 0.02 0.02 0.04 -0.04 2.28 2.32 2d7fL1 PRO 234 HB3 0.01 -0.02 0.09 -0.04 2.02 2.06 2d7fL1 PRO 234 HG2 0.06 -0.01 0.04 -0.04 2.03 2.08 2d7fL1 PRO 234 HG3 0.05 0.07 0.08 -0.04 2.03 2.18 2d7fL1 PRO 234 HD2 0.24 0.09 0.21 -0.04 3.68 4.18 2d7fL1 PRO 234 HD3 0.08 0.19 0.17 -0.04 3.65 4.05 2d7fL1 ASP 235 H 0.10 0.21 -0.08 -0.55 8.40 8.09 2d7fL1 ASP 235 HA 0.02 0.18 0.49 -0.75 4.63 4.57 2d7fL1 ASP 235 HB2 0.00 -0.11 0.11 -0.04 2.71 2.66 2d7fL1 ASP 235 HB3 0.01 0.18 -0.15 -0.04 2.70 2.70 2d7fL1 ALA 236 H -0.01 0.18 0.05 -0.55 8.40 8.07 2d7fL1 ALA 236 HA -0.08 0.19 0.80 -0.75 4.34 4.50 2d7fL1 ALA 236 HB3 -0.02 0.03 0.06 -0.04 1.41 1.44 2d7fL1 ASN 237 H -0.05 0.07 -0.32 -0.55 8.53 7.68 2d7fL1 ASN 237 HA -0.05 0.15 0.33 -0.75 4.76 4.43 2d7fL1 ASN 237 HB2 -0.05 0.05 0.03 -0.04 2.88 2.87 2d7fL1 ASN 237 HB3 -0.04 0.07 0.05 -0.04 2.79 2.82 2d7fL1 ASN 237 HD21 -0.01 -0.00 -0.02 -0.04 7.03 6.96 2d7fL1 ASN 237 HD22 -0.01 0.06 -0.00 -0.04 7.74 7.74